1H-benzimidazole-4-carboxamide

C8H7N3O — CID 10130109

IUPAC1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]cnc12
InChIInChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChIKeyJJDMKDXGNVJWCD-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.66
Rot. Bonds1

About 1H-benzimidazole-4-carboxamide

1H-benzimidazole-4-carboxamide (PubChem CID 10130109) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1H-benzimidazole-4-carboxamide
PubChem CID10130109
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]cnc12
InChIInChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChIKeyJJDMKDXGNVJWCD-UHFFFAOYSA-N
XLogP0.66
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole-4-carboxamide?
The IUPAC name of 1H-benzimidazole-4-carboxamide (CID 10130109) is 1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 1H-benzimidazole-4-carboxamide?
The canonical SMILES for 1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]cnc12.
What is the InChIKey of 1H-benzimidazole-4-carboxamide?
The InChIKey is JJDMKDXGNVJWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11).
What are the key properties of 1H-benzimidazole-4-carboxamide?
1H-benzimidazole-4-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10130109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).