2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid

C13H9N3O3 — CID 114039773

IUPAC2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cc[nH]c(=O)c3)nc12
InChIInChI=1S/C13H9N3O3/c17-10-6-7(4-5-14-10)12-15-9-3-1-2-8(13(18)19)11(9)16-12/h1-6H,(H,14,17)(H,15,16)(H,18,19)
InChIKeyFITRMFUSCQZFSL-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.62
Rot. Bonds2

About 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid

2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 114039773) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID114039773
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cc[nH]c(=O)c3)nc12
InChIInChI=1S/C13H9N3O3/c17-10-6-7(4-5-14-10)12-15-9-3-1-2-8(13(18)19)11(9)16-12/h1-6H,(H,14,17)(H,15,16)(H,18,19)
InChIKeyFITRMFUSCQZFSL-UHFFFAOYSA-N
XLogP1.62
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-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

2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(1H-pyrrol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 66984814
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 113452902
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 106861840
2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
CID 63032968
2-[4-(2-oxoazepan-1-yl)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58073825
2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63032984
2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 106688351
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid (CID 114039773) is 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3cc[nH]c(=O)c3)nc12.
What is the InChIKey of 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FITRMFUSCQZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-10-6-7(4-5-14-10)12-15-9-3-1-2-8(13(18)19)11(9)16-12/h1-6H,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid?
2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 114039773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).