5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide

C17H19N5O4 — CID 2945303

IUPAC5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)NC1CCCCC1
InChIInChI=1S/C17H19N5O4/c23-16(20-11-4-2-1-3-5-11)14-15(19-10-18-14)17(24)21-12-6-8-13(9-7-12)22(25)26/h6-11H,1-5H2,(H,18,19)(H,20,23)(H,21,24)
InChIKeyZEOLQVBAXYCROP-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.63
Rot. Bonds5

About 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide

5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 2945303) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID2945303
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)NC1CCCCC1
InChIInChI=1S/C17H19N5O4/c23-16(20-11-4-2-1-3-5-11)14-15(19-10-18-14)17(24)21-12-6-8-13(9-7-12)22(25)26/h6-11H,1-5H2,(H,18,19)(H,20,23)(H,21,24)
InChIKeyZEOLQVBAXYCROP-UHFFFAOYSA-N
XLogP2.63
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
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

5-(Hydrazinocarbonyl)-N-(2-nitrophenyl)-1H-imidazole-4-carboxamide
CID 3332392
N,N'-bis(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 5178210
N~5~-(2-hydroxyethyl)-N~4~-{2-nitrophenyl}-1H-imidazole-4,5-dicarboxamide
CID 6426151
1H-Imidazole-4,5-dicarboxamide, N,N'-bis(phenylmethyl)-
CID 571692
1H-Imidazole-4,5-dicarboxylic acid 4-[(4-fluoro-phenyl)-amide] 5-methylamide
CID 965337
N,N'-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 745568
N4-(4-Fluorophenyl)-N5-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 2947008
FH-Orn
CID 9549918
N4-(4-methylphenyl)-N5-[(1S)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
CID 16196538
N-(4-methylphenyl)-5-[(4-phenyl-1-piperazinyl)carbonyl]-1H-imidazole-4-carboxamide
CID 16746563
N-(4-methylphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 16746564
tert-butyl (2S)-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate
CID 16746566

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide (CID 2945303) is 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)NC1CCCCC1.
What is the InChIKey of 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ZEOLQVBAXYCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-16(20-11-4-2-1-3-5-11)14-15(19-10-18-14)17(24)21-12-6-8-13(9-7-12)22(25)26/h6-11H,1-5H2,(H,18,19)(H,20,23)(H,21,24).
What are the key properties of 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 2945303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).