2-oxobenzimidazole-4-carboxylic acid

C8H4N2O3 — CID 21395383

IUPAC2-oxobenzimidazole-4-carboxylic acid
SMILESO=C1N=c2cccc(C(=O)O)c2=N1
InChIInChI=1S/C8H4N2O3/c11-7(12)4-2-1-3-5-6(4)10-8(13)9-5/h1-3H,(H,11,12)
InChIKeyUWLNUVGKLNVEFA-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.24
Rot. Bonds1

About 2-oxobenzimidazole-4-carboxylic acid

2-oxobenzimidazole-4-carboxylic acid (PubChem CID 21395383) has the molecular formula C8H4N2O3 and a molecular weight of 176.13 g/mol. Its IUPAC name is 2-oxobenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-oxobenzimidazole-4-carboxylic acid
PubChem CID21395383
Molecular FormulaC8H4N2O3
Molecular Weight176.13 g/mol
Exact Mass176.02
IUPAC Name2-oxobenzimidazole-4-carboxylic acid
SMILESO=C1N=c2cccc(C(=O)O)c2=N1
InChIInChI=1S/C8H4N2O3/c11-7(12)4-2-1-3-5-6(4)10-8(13)9-5/h1-3H,(H,11,12)
InChIKeyUWLNUVGKLNVEFA-UHFFFAOYSA-N
XLogP-0.24
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxobenzimidazole-4-carboxylic acid?
The IUPAC name of 2-oxobenzimidazole-4-carboxylic acid (CID 21395383) is 2-oxobenzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-oxobenzimidazole-4-carboxylic acid?
The canonical SMILES for 2-oxobenzimidazole-4-carboxylic acid is O=C1N=c2cccc(C(=O)O)c2=N1.
What is the InChIKey of 2-oxobenzimidazole-4-carboxylic acid?
The InChIKey is UWLNUVGKLNVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O3/c11-7(12)4-2-1-3-5-6(4)10-8(13)9-5/h1-3H,(H,11,12).
What are the key properties of 2-oxobenzimidazole-4-carboxylic acid?
2-oxobenzimidazole-4-carboxylic acid has a molecular weight of 176.13 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxobenzimidazole-4-carboxylic acid is sourced from PubChem (CID 21395383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).