2-(benzimidazol-1-yl)benzoic acid

C14H10N2O2 — CID 703493

IUPAC2-(benzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C14H10N2O2/c17-14(18)10-5-1-3-7-12(10)16-9-15-11-6-2-4-8-13(11)16/h1-9H,(H,17,18)
InChIKeySSXQFHWSILYDFN-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.72
Rot. Bonds2

About 2-(benzimidazol-1-yl)benzoic acid

2-(benzimidazol-1-yl)benzoic acid (PubChem CID 703493) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)benzoic acid
PubChem CID703493
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(benzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C14H10N2O2/c17-14(18)10-5-1-3-7-12(10)16-9-15-11-6-2-4-8-13(11)16/h1-9H,(H,17,18)
InChIKeySSXQFHWSILYDFN-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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)benzoic acid?
The IUPAC name of 2-(benzimidazol-1-yl)benzoic acid (CID 703493) is 2-(benzimidazol-1-yl)benzoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)benzoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)benzoic acid is O=C(O)c1ccccc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)benzoic acid?
The InChIKey is SSXQFHWSILYDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)10-5-1-3-7-12(10)16-9-15-11-6-2-4-8-13(11)16/h1-9H,(H,17,18).
What are the key properties of 2-(benzimidazol-1-yl)benzoic acid?
2-(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 2-(benzimidazol-1-yl)benzoic acid is sourced from PubChem (CID 703493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).