2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid

C13H9N3O3 — CID 110491359

IUPAC2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1cccnc1
InChIInChI=1S/C13H9N3O3/c17-12(18)8-3-4-11-10(6-8)15-13(19)16(11)9-2-1-5-14-7-9/h1-7H,(H,15,19)(H,17,18)
InChIKeyJJGNMHHWXUCLRH-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.41
Rot. Bonds2

About 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid

2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid (PubChem CID 110491359) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
PubChem CID110491359
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1cccnc1
InChIInChI=1S/C13H9N3O3/c17-12(18)8-3-4-11-10(6-8)15-13(19)16(11)9-2-1-5-14-7-9/h1-7H,(H,15,19)(H,17,18)
InChIKeyJJGNMHHWXUCLRH-UHFFFAOYSA-N
XLogP1.41
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-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-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
CID 110491349
4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid
CID 118027359
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261306
[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid
CID 129031933
1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
CID 43524092
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 126820989
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077056
6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
CID 117261312

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid (CID 110491359) is 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1cccnc1.
What is the InChIKey of 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is JJGNMHHWXUCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-12(18)8-3-4-11-10(6-8)15-13(19)16(11)9-2-1-5-14-7-9/h1-7H,(H,15,19)(H,17,18).
What are the key properties of 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid?
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 110491359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).