2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide

C16H18N4O3 — CID 118255772

IUPAC2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide
SMILESCNC(=O)n1cc(-c2cccc([N+](=O)[O-])c2)nc1C1CCCC1
InChIInChI=1S/C16H18N4O3/c1-17-16(21)19-10-14(18-15(19)11-5-2-3-6-11)12-7-4-8-13(9-12)20(22)23/h4,7-11H,2-3,5-6H2,1H3,(H,17,21)
InChIKeyYKVGTLXVAGNZRT-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.30
Rot. Bonds3

About 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide

2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide (PubChem CID 118255772) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide
PubChem CID118255772
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide
SMILESCNC(=O)n1cc(-c2cccc([N+](=O)[O-])c2)nc1C1CCCC1
InChIInChI=1S/C16H18N4O3/c1-17-16(21)19-10-14(18-15(19)11-5-2-3-6-11)12-7-4-8-13(9-12)20(22)23/h4,7-11H,2-3,5-6H2,1H3,(H,17,21)
InChIKeyYKVGTLXVAGNZRT-UHFFFAOYSA-N
XLogP3.30
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.30
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-(3-nitrophenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733841
2-acetamido-2-cyclopentyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 55461517
N-cyclopentyl-3-methyl-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315528
5-cyclopropyl-1-methyl-3-(3-nitrophenyl)pyrazole
CID 154683142
(3-nitrophenyl)cycloheptane
CID 142001294
N-cyclohexyl-2-(3-nitrophenyl)pyrimidine-5-carboxamide
CID 5035480
ethyl 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-3-carboxylate
CID 43953532
trans-(1S,2R)-2-[[[6-(3-nitrophenyl)pyridazin-3-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108773676
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanone
CID 27461359
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine;trihydrochloride
CID 11258778
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
CID 59825455
4-cyclopropyl-3-(3-nitrophenyl)-1H-1,2,4-triazol-5-one
CID 58012096

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide (CID 118255772) is 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide is CNC(=O)n1cc(-c2cccc([N+](=O)[O-])c2)nc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide?
The InChIKey is YKVGTLXVAGNZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-17-16(21)19-10-14(18-15(19)11-5-2-3-6-11)12-7-4-8-13(9-12)20(22)23/h4,7-11H,2-3,5-6H2,1H3,(H,17,21).
What are the key properties of 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide?
2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-4-(3-nitrophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 118255772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).