1-(2-nitrophenyl)imidazole-4-carboxamide

C10H8N4O3 — CID 97178913

IUPAC1-(2-nitrophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C10H8N4O3/c11-10(15)7-5-13(6-12-7)8-3-1-2-4-9(8)14(16)17/h1-6H,(H2,11,15)
InChIKeyLDESNMCURKHACG-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-nitrophenyl)imidazole-4-carboxamide

1-(2-nitrophenyl)imidazole-4-carboxamide (PubChem CID 97178913) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(2-nitrophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-nitrophenyl)imidazole-4-carboxamide
PubChem CID97178913
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name1-(2-nitrophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C10H8N4O3/c11-10(15)7-5-13(6-12-7)8-3-1-2-4-9(8)14(16)17/h1-6H,(H2,11,15)
InChIKeyLDESNMCURKHACG-UHFFFAOYSA-N
XLogP0.88
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-nitrophenyl)imidazole-4-carboxamide (CID 97178913) is 1-(2-nitrophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-nitrophenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-nitrophenyl)imidazole-4-carboxamide is NC(=O)c1cn(-c2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of 1-(2-nitrophenyl)imidazole-4-carboxamide?
The InChIKey is LDESNMCURKHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-10(15)7-5-13(6-12-7)8-3-1-2-4-9(8)14(16)17/h1-6H,(H2,11,15).
What are the key properties of 1-(2-nitrophenyl)imidazole-4-carboxamide?
1-(2-nitrophenyl)imidazole-4-carboxamide has a molecular weight of 232.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 97178913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).