3-(1H-benzimidazol-2-yl)benzoic acid

C14H10N2O2 — CID 749289

IUPAC3-(1H-benzimidazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChIKeyBQKXFNQLZLSSEP-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.93
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)benzoic acid

3-(1H-benzimidazol-2-yl)benzoic acid (PubChem CID 749289) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)benzoic acid
PubChem CID749289
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-(1H-benzimidazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChIKeyBQKXFNQLZLSSEP-UHFFFAOYSA-N
XLogP2.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)benzoic acid?
The IUPAC name of 3-(1H-benzimidazol-2-yl)benzoic acid (CID 749289) is 3-(1H-benzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)benzoic acid?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)benzoic acid is O=C(O)c1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)benzoic acid?
The InChIKey is BQKXFNQLZLSSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-yl)benzoic acid?
3-(1H-benzimidazol-2-yl)benzoic acid has a molecular weight of 238.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 749289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).