3-(2-phenylimidazol-1-yl)propanenitrile (CED0131050)

Record Information

Version

1.0

Creation Date

2026-08-18 15:58:55 UTC

Update Date

2026-08-18 15:58:55 UTC

SynCED ID

CED0131050

Secondary Accession Numbers

CHEM163187

Identification

Common Name

3-(2-phenylimidazol-1-yl)propanenitrile

Class

Small Molecule

Description

3-(2-phenylimidazol-1-yl)propanenitrile is an organic compound with the chemical formula C12H11N3 and an average molecular weight of 197.24 g/mol. 3-(2-phenylimidazol-1-yl)propanenitrile belongs to the imidazoles, a subclass of azoles within the organic compounds. It is further classified under the superclass of organoheterocyclic compounds. This substance has been identified in or released from six recorded sources. These sources include various types of electrical and electronic equipment, specifically antennas, coils, cores yokes or armatures, relays, superconducting magnets, and superconducting coils, along with one additional source.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₁N₃

Average Molecular Mass

197.240 g/mol

Monoisotopic Mass

197.095 g/mol

CAS Registry Number

23996-12-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2

InChI Key

BVYPJEBKDLFIDL-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
797.0 Log mg/kg [450:1400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000508	Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.	Electrical & Electronic Equipment	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000513	Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.	Electrical & Electronic Equipment	Not Available
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	Not Available
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	Not Available
CEDs000531	Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.	Electrical & Electronic Equipment	Not Available
CEDs000535	Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.	Electrical & Electronic Equipment	Not Available
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	Not Available
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	Not Available
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.326 Statistical Significance 0.1537 Supporting Reference Compounds 735 E-value 1196.78
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.326 Statistical Significance 0.2066 Supporting Reference Compounds 834 E-value 1608.36
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.286 Low confidence Statistical Significance 0.3867 Supporting Reference Compounds 1538 E-value 3010.27
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.304 Statistical Significance 0.2828 Supporting Reference Compounds 1274 E-value 2201.97
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.288 Low confidence Statistical Significance 0.2496 Supporting Reference Compounds 657 E-value 1943.35
Click to view 3D structure	Cyclin-dependent kinase 8	P49336	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.326 Statistical Significance 0.1803 Supporting Reference Compounds 367 E-value 1403.54
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.288 Low confidence Statistical Significance 0.4182 Supporting Reference Compounds 1660 E-value 3255.65
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.288 Low confidence Statistical Significance 0.397 Supporting Reference Compounds 1157 E-value 3091.0
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.288 Low confidence Statistical Significance 0.3325 Supporting Reference Compounds 833 E-value 2588.18
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.288 Low confidence Statistical Significance 0.3429 Supporting Reference Compounds 782 E-value 2669.45
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.288 Low confidence Statistical Significance 0.3496 Supporting Reference Compounds 906 E-value 2721.38
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.288 Low confidence Statistical Significance 0.3152 Supporting Reference Compounds 733 E-value 2453.96
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.288 Low confidence Statistical Significance 0.3757 Supporting Reference Compounds 1017 E-value 2925.11
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.288 Low confidence Statistical Significance 0.3227 Supporting Reference Compounds 779 E-value 2512.27
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.288 Low confidence Statistical Significance 0.303 Supporting Reference Compounds 715 E-value 2358.83
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.288 Low confidence Statistical Significance 0.3786 Supporting Reference Compounds 1158 E-value 2947.68
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.288 Low confidence Statistical Significance 0.4135 Supporting Reference Compounds 1130 E-value 3218.83
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.288 Low confidence Statistical Significance 0.3607 Supporting Reference Compounds 934 E-value 2808.41
Click to view 3D structure	Insulin receptor	P06213	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.288 Low confidence Statistical Significance 0.3281 Supporting Reference Compounds 772 E-value 2553.92
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.288 Low confidence Statistical Significance 0.3742 Supporting Reference Compounds 967 E-value 2913.2
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.288 Low confidence Statistical Significance 0.3767 Supporting Reference Compounds 1029 E-value 2932.74
Click to view 3D structure	Casein kinase II subunit alpha	P68400	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.288 Low confidence Statistical Significance 0.2799 Supporting Reference Compounds 593 E-value 2178.92
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.304 Statistical Significance 0.3125 Supporting Reference Compounds 674 E-value 2432.48
Click to view 3D structure	Protein-tyrosine kinase 6	Q13882	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.304 Statistical Significance 0.2292 Supporting Reference Compounds 395 E-value 1784.69
Click to view 3D structure	Fibroblast growth factor receptor 3	P22607	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.288 Low confidence Statistical Significance 0.2999 Supporting Reference Compounds 616 E-value 2334.54