2-oxobenzimidazole-4-carboxamide

C8H5N3O2 — CID 66878677

IUPAC2-oxobenzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C8H5N3O2/c9-7(12)4-2-1-3-5-6(4)11-8(13)10-5/h1-3H,(H2,9,12)
InChIKeyKOBFVFUSNWENFD-UHFFFAOYSA-N
MW175.15 g/mol
LogP-0.84
Rot. Bonds1

About 2-oxobenzimidazole-4-carboxamide

2-oxobenzimidazole-4-carboxamide (PubChem CID 66878677) has the molecular formula C8H5N3O2 and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-oxobenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxobenzimidazole-4-carboxamide
PubChem CID66878677
Molecular FormulaC8H5N3O2
Molecular Weight175.15 g/mol
Exact Mass175.04
IUPAC Name2-oxobenzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C8H5N3O2/c9-7(12)4-2-1-3-5-6(4)11-8(13)10-5/h1-3H,(H2,9,12)
InChIKeyKOBFVFUSNWENFD-UHFFFAOYSA-N
XLogP-0.84
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxobenzimidazole-4-carboxamide?
The IUPAC name of 2-oxobenzimidazole-4-carboxamide (CID 66878677) is 2-oxobenzimidazole-4-carboxamide.
What is the SMILES notation for 2-oxobenzimidazole-4-carboxamide?
The canonical SMILES for 2-oxobenzimidazole-4-carboxamide is NC(=O)c1cccc2c1=NC(=O)N=2.
What is the InChIKey of 2-oxobenzimidazole-4-carboxamide?
The InChIKey is KOBFVFUSNWENFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2/c9-7(12)4-2-1-3-5-6(4)11-8(13)10-5/h1-3H,(H2,9,12).
What are the key properties of 2-oxobenzimidazole-4-carboxamide?
2-oxobenzimidazole-4-carboxamide has a molecular weight of 175.15 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxobenzimidazole-4-carboxamide is sourced from PubChem (CID 66878677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).