2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid

C13H9N3O2 — CID 2771800

IUPAC2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7H,(H,15,16)(H,17,18)
InChIKeyTYFICRRCLJYFJU-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid

2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid (PubChem CID 2771800) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
PubChem CID2771800
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7H,(H,15,16)(H,17,18)
InChIKeyTYFICRRCLJYFJU-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
3-methyl-4-oxo-4-(2-pyridin-4-yl-3H-benzimidazol-5-yl)butanoic acid
CID 19827878
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-(4-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 10612945
furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine
CID 134366826
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
prop-2-enyl 2-pyridin-4-yl-3H-benzimidazole-5-carboxylate
CID 91673805

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid (CID 2771800) is 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccncc3)[nH]c2c1.
What is the InChIKey of 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is TYFICRRCLJYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid?
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 2771800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).