2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid

C14H9ClN2O2 — CID 4915655

IUPAC2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C14H9ClN2O2/c15-10-4-2-1-3-9(10)13-16-11-6-5-8(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyPUCCNHPECQWLHX-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid

2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 4915655) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID4915655
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C14H9ClN2O2/c15-10-4-2-1-3-9(10)13-16-11-6-5-8(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyPUCCNHPECQWLHX-UHFFFAOYSA-N
XLogP3.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-3H-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

Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
CID 55935
2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 1132609
2-(1H-1,3-benzodiazol-2-yl)benzoic acid
CID 318130
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
5-Benzimidazolecarboxylic acid
CID 459456
2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid
CID 646135
3-(1H-Benzimidazol-2-yl)benzoic acid
CID 749289
2-(4-fluorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid
CID 17010630
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
CID 768518
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
4-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-amino]-benzoic acid
CID 1097871

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid (CID 4915655) is 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is PUCCNHPECQWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-4-2-1-3-9(10)13-16-11-6-5-8(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid?
2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 272.69 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 4915655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).