7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one (CED0192083)

Record Information

Version

1.0

Creation Date

2026-04-04 23:58:25 UTC

Update Date

2026-08-19 22:39:23 UTC

SynCED ID

CED0192083

Secondary Accession Numbers

CHEM085748

Identification

Common Name

7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one

Class

Small Molecule

Description

7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one is an organic compound with the formula C18H10N2O and an average molecular weight of 270.29 g/mol. 7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one belongs to the isoquinolones and derivatives, a subclass of isoquinolines and derivatives within the organic compounds. In industrial applications, this compound is utilized as a dye and a pigment. It has been recorded in two sources: discharge lamps within electrical and electronic equipment, and food contact materials used in food, food processing, and cookware. Exposure to the substance may occur via touch, oral ingestion, or inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₁₀N₂O

Average Molecular Mass

270.291 g/mol

Monoisotopic Mass

270.079 g/mol

CAS Registry Number

23749-58-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

O=C1N2C3=CC=CC=C3N=C2C2=CC=CC3=C2C1=CC=C3

InChI Identifier

InChI=1/C18H10N2O/c21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18/h1-10H

InChI Key

NZBSAAMEZYOGBA-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00di-0090000000-6275b09e337057fba5be	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2088.0 Log mg/kg [1200:3700]	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000494	Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.	Food, food processing & cookware	Not Available
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000631	Anthraquinone Dyes?Anthraquinone dyes are a class of synthetic organic compounds characterized by their vibrant colors and stability, making them widely used in various applications, particularly in coloring textiles and leather.	Textiles, leather & furnishings	PubChem
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	PubChem
CEDs000648	Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
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	PubChem
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	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
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	PubChem
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	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	Calcium/calmodulin-dependent protein kinase kinase 2	Q96RR4	Humans	Predicted (SEA)	Prediction Confidence Score 0.373 Applicability Domain 0.674 Statistical Significance 0.0067 Supporting Reference Compounds 157 E-value 52.5482
Click to view 3D structure	Calcium/calmodulin-dependent protein kinase kinase 1	Q8N5S9	Humans	Predicted (SEA)	Prediction Confidence Score 0.366 Applicability Domain 0.674 Statistical Significance 0.0033 Supporting Reference Compounds 88 E-value 25.8459
Click to view 3D structure	Serine/threonine-protein kinase pim-3	Q86V86	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.63 Statistical Significance 0.0259 Supporting Reference Compounds 497 E-value 202.019
Click to view 3D structure	Serine/threonine-protein kinase pim-2	Q9P1W9	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.63 Statistical Significance 0.0307 Supporting Reference Compounds 525 E-value 239.153
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.63 Statistical Significance 0.0116 Supporting Reference Compounds 196 E-value 90.3051
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.367 Statistical Significance 0.0214 Supporting Reference Compounds 391 E-value 166.831
Click to view 3D structure	Adenosine receptor A1	P28190	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.367 Statistical Significance 0.0069 Supporting Reference Compounds 72 E-value 53.8717
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.327 Statistical Significance 0.1467 Supporting Reference Compounds 1660 E-value 1142.2
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.327 Statistical Significance 0.1013 Supporting Reference Compounds 779 E-value 788.69
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.327 Statistical Significance 0.103 Supporting Reference Compounds 721 E-value 802.158
Click to view 3D structure	Interferon-induced, double-stranded RNA-activated protein kinase	P19525	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.674 Statistical Significance 0.0172 Supporting Reference Compounds 114 E-value 134.134
Click to view 3D structure	Serine/threonine-protein kinase PLK1	P53350	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.327 Statistical Significance 0.0967 Supporting Reference Compounds 705 E-value 753.036
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.327 Statistical Significance 0.137 Supporting Reference Compounds 869 E-value 1066.38
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.327 Statistical Significance 0.156 Supporting Reference Compounds 1158 E-value 1214.53
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.327 Statistical Significance 0.1416 Supporting Reference Compounds 906 E-value 1102.27
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.327 Statistical Significance 0.1531 Supporting Reference Compounds 1029 E-value 1191.64
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.327 Statistical Significance 0.1251 Supporting Reference Compounds 763 E-value 974.205
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.1241 Supporting Reference Compounds 735 E-value 966.42
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.1507 Supporting Reference Compounds 967 E-value 1173.03
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.1328 Supporting Reference Compounds 754 E-value 1033.6
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.1396 Supporting Reference Compounds 811 E-value 1086.54
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.1317 Supporting Reference Compounds 807 E-value 1025.66
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.1396 Supporting Reference Compounds 834 E-value 1087.01
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.1084 Supporting Reference Compounds 681 E-value 843.886
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.327 Statistical Significance 0.129 Supporting Reference Compounds 797 E-value 1004.49