6-amino-1H-benzimidazole-4-carboxamide

C8H8N4O — CID 121232289

IUPAC6-amino-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N)cc2[nH]cnc12
InChIInChI=1S/C8H8N4O/c9-4-1-5(8(10)13)7-6(2-4)11-3-12-7/h1-3H,9H2,(H2,10,13)(H,11,12)
InChIKeyNGMUSBZSMKGTLI-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.24
Rot. Bonds1

About 6-amino-1H-benzimidazole-4-carboxamide

6-amino-1H-benzimidazole-4-carboxamide (PubChem CID 121232289) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 6-amino-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-amino-1H-benzimidazole-4-carboxamide
PubChem CID121232289
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name6-amino-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N)cc2[nH]cnc12
InChIInChI=1S/C8H8N4O/c9-4-1-5(8(10)13)7-6(2-4)11-3-12-7/h1-3H,9H2,(H2,10,13)(H,11,12)
InChIKeyNGMUSBZSMKGTLI-UHFFFAOYSA-N
XLogP0.24
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-amino-1H-benzimidazole-4-carboxamide (CID 121232289) is 6-amino-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-amino-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-amino-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(N)cc2[nH]cnc12.
What is the InChIKey of 6-amino-1H-benzimidazole-4-carboxamide?
The InChIKey is NGMUSBZSMKGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-4-1-5(8(10)13)7-6(2-4)11-3-12-7/h1-3H,9H2,(H2,10,13)(H,11,12).
What are the key properties of 6-amino-1H-benzimidazole-4-carboxamide?
6-amino-1H-benzimidazole-4-carboxamide has a molecular weight of 176.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 121232289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).