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

C10H8N4O3 — CID 14907723

IUPACN-(4-nitrophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)n1ccnc1
InChIInChI=1S/C10H8N4O3/c15-10(13-6-5-11-7-13)12-8-1-3-9(4-2-8)14(16)17/h1-7H,(H,12,15)
InChIKeyYZGGMMAYMUMFQZ-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.87
Rot. Bonds2

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

N-(4-nitrophenyl)imidazole-1-carboxamide (PubChem CID 14907723) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is N-(4-nitrophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)imidazole-1-carboxamide
PubChem CID14907723
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC NameN-(4-nitrophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)n1ccnc1
InChIInChI=1S/C10H8N4O3/c15-10(13-6-5-11-7-13)12-8-1-3-9(4-2-8)14(16)17/h1-7H,(H,12,15)
InChIKeyYZGGMMAYMUMFQZ-UHFFFAOYSA-N
XLogP1.87
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.87
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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Related Compounds

N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
(4-nitrophenyl)methyl imidazole-1-carboperoxoate
CID 150275423
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 81236039
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 3834481
N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
CID 81257159
1-cyano-N-(4-nitrophenyl)formamide
CID 10607728
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazole-1-carboxamide
CID 81257810

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(4-nitrophenyl)imidazole-1-carboxamide (CID 14907723) is N-(4-nitrophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)imidazole-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)n1ccnc1.
What is the InChIKey of N-(4-nitrophenyl)imidazole-1-carboxamide?
The InChIKey is YZGGMMAYMUMFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-10(13-6-5-11-7-13)12-8-1-3-9(4-2-8)14(16)17/h1-7H,(H,12,15).
What are the key properties of N-(4-nitrophenyl)imidazole-1-carboxamide?
N-(4-nitrophenyl)imidazole-1-carboxamide has a molecular weight of 232.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 14907723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).