3-(benzimidazol-1-yl)benzoic acid

C14H10N2O2 — CID 5328440

IUPAC3-(benzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H,(H,17,18)
InChIKeyJGRMSAIUGUVHHM-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.72
Rot. Bonds2

About 3-(benzimidazol-1-yl)benzoic acid

3-(benzimidazol-1-yl)benzoic acid (PubChem CID 5328440) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)benzoic acid
PubChem CID5328440
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-(benzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H,(H,17,18)
InChIKeyJGRMSAIUGUVHHM-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzimidazol-1-yl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)benzoic acid?
The IUPAC name of 3-(benzimidazol-1-yl)benzoic acid (CID 5328440) is 3-(benzimidazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(benzimidazol-1-yl)benzoic acid?
The canonical SMILES for 3-(benzimidazol-1-yl)benzoic acid is O=C(O)c1cccc(-n2cnc3ccccc32)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)benzoic acid?
The InChIKey is JGRMSAIUGUVHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H,(H,17,18).
What are the key properties of 3-(benzimidazol-1-yl)benzoic acid?
3-(benzimidazol-1-yl)benzoic acid has a molecular weight of 238.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)benzoic acid is sourced from PubChem (CID 5328440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).