M01 2-Carboxybenzimidazole (CED0186994)

Record Information

Version

1.0

Creation Date

2026-04-05 10:33:29 UTC

Update Date

2026-08-24 23:07:25 UTC

Accession Number

CHEM099305

Identification

Common Name

M01 2-Carboxybenzimidazole

Class

Small Molecule

Description

M01 2-Carboxybenzimidazole belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C8H6N2O2 and an average molecular weight of 162.15 g/mol. It has been recorded as being found in or released from household cleaning and consumer products, specifically pipe accessories. In terms of biological activity, M01 2-Carboxybenzimidazole is identified as an inhibitor of the protein target Cathepsin D (CTSD).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₆N₂O₂

Average Molecular Mass

162.148 g/mol

Monoisotopic Mass

162.043 g/mol

CAS Registry Number

2849-93-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(=O)C1=NC2=CC=CC=C2N1

InChI Identifier

InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)

InChI Key

RHXSYTACTOMVLJ-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	splash10-03xu-2900000000-9d601386cbc39993243a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0900000000-f691f558532084740bc5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0900000000-deee99104a917cb1b122	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014m-9600000000-6cf8cf6bc4dce6282510	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0900000000-ec18ddf5ff389480f1c6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03xr-0900000000-75c817646fb23c91e660	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kf-6900000000-9c103d34a171c74ac1bf	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1503.0	Log mg/kg	[850:2700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
562	Pipe Accessories	Household cleaning & consumer products	Not Available

Pathways

0 pathways

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	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	267.646
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	417.739
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	220.547
Click to view 3D structure	Methionine aminopeptidase	P0AE18	Escherichia coli (strain K12)	Predicted (SEA)	1.79053
Click to view 3D structure	D-amino-acid oxidase	P14920	Humans	Predicted (SEA)	3.42537
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	110.234
Click to view 3D structure	Voltage-dependent T-type calcium channel subunit alpha-1H	O95180	Humans	Predicted (SEA)	10.9767
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	27.5586
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	352.346
Click to view 3D structure	Dual specificity protein kinase CLK1	P22518	Mus musculus	Predicted (SEA)	8.64126
Click to view 3D structure	Aryl hydrocarbon receptor	P35869	Humans	Predicted (SEA)	2.80257
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	563.083
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	506.721
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	4.28171
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	235.883
Click to view 3D structure	Photoreceptor-specific nuclear receptor	Q9Y5X4	Humans	Predicted (SEA)	1.55698
Click to view 3D structure	Glucose-induced degradation protein 4 homolog	Q8IVV7	Humans	Predicted (SEA)	0.856341
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	355.537
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	245.614
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	38.9246
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	495.666
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	350.477
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	249.818
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	299.642
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	315.211