3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid

C15H11ClN2O2 — CID 18680874

IUPAC3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C15H11ClN2O2/c16-12-4-2-1-3-11(12)8-18-9-17-13-6-5-10(15(19)20)7-14(13)18/h1-7,9H,8H2,(H,19,20)
InChIKeyZJHPYOOIAJWVDC-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.44
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid

3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 18680874) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID18680874
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C15H11ClN2O2/c16-12-4-2-1-3-11(12)8-18-9-17-13-6-5-10(15(19)20)7-14(13)18/h1-7,9H,8H2,(H,19,20)
InChIKeyZJHPYOOIAJWVDC-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
3-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 82791472
3-(carboxymethyl)benzimidazole-5-carboxylic acid
CID 16763194
3-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82790758
1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
CID 31788167
3-[2-(4-chlorophenyl)ethyl]benzimidazole-5-carboxylic acid
CID 82769086
3-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazole-5-carboxylic acid
CID 82790317
3-[(4-boronophenyl)methyl]benzimidazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167613466
3-(3-methyl-2-propan-2-ylbutyl)benzimidazole-5-carboxylic acid
CID 102907252
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
3-(2-methyl-2-methylsulfonylpropyl)benzimidazole-5-carboxylic acid
CID 82791415

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid (CID 18680874) is 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(Cc3ccccc3Cl)c2c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is ZJHPYOOIAJWVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-4-2-1-3-11(12)8-18-9-17-13-6-5-10(15(19)20)7-14(13)18/h1-7,9H,8H2,(H,19,20).
What are the key properties of 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid?
3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 18680874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).