2-amino-1H-benzimidazole-4-carboxamide

C8H8N4O — CID 10442222

IUPAC2-amino-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(N)nc12
InChIInChI=1S/C8H8N4O/c9-7(13)4-2-1-3-5-6(4)12-8(10)11-5/h1-3H,(H2,9,13)(H3,10,11,12)
InChIKeyHGRZYANAPGNDGS-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.24
Rot. Bonds1

About 2-amino-1H-benzimidazole-4-carboxamide

2-amino-1H-benzimidazole-4-carboxamide (PubChem CID 10442222) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-amino-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-1H-benzimidazole-4-carboxamide
PubChem CID10442222
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-amino-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(N)nc12
InChIInChI=1S/C8H8N4O/c9-7(13)4-2-1-3-5-6(4)12-8(10)11-5/h1-3H,(H2,9,13)(H3,10,11,12)
InChIKeyHGRZYANAPGNDGS-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-amino-1H-benzimidazole-4-carboxamide (CID 10442222) is 2-amino-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-amino-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-amino-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(N)nc12.
What is the InChIKey of 2-amino-1H-benzimidazole-4-carboxamide?
The InChIKey is HGRZYANAPGNDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-7(13)4-2-1-3-5-6(4)12-8(10)11-5/h1-3H,(H2,9,13)(H3,10,11,12).
What are the key properties of 2-amino-1H-benzimidazole-4-carboxamide?
2-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 2-amino-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10442222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).