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

C12H8N4O3 — CID 110491349

IUPAC2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1ncccn1
InChIInChI=1S/C12H8N4O3/c17-10(18)7-2-3-9-8(6-7)15-12(19)16(9)11-13-4-1-5-14-11/h1-6H,(H,15,19)(H,17,18)
InChIKeyQZZSEJGCGWDXQR-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.81
Rot. Bonds2

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

2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid (PubChem CID 110491349) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
PubChem CID110491349
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1ncccn1
InChIInChI=1S/C12H8N4O3/c17-10(18)7-2-3-9-8(6-7)15-12(19)16(9)11-13-4-1-5-14-11/h1-6H,(H,15,19)(H,17,18)
InChIKeyQZZSEJGCGWDXQR-UHFFFAOYSA-N
XLogP0.81
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077056
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
CID 43524092
2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 70143818
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 106373255
4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid
CID 118027359
1-morpholin-4-yl-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83017031
1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 64689401
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid (CID 110491349) is 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1ncccn1.
What is the InChIKey of 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is QZZSEJGCGWDXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-10(18)7-2-3-9-8(6-7)15-12(19)16(9)11-13-4-1-5-14-11/h1-6H,(H,15,19)(H,17,18).
What are the key properties of 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid?
2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 110491349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).