N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide

C11H16N4O3 — CID 20788089

IUPACN-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide
SMILESCc1ncc([N+](=O)[O-])n1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16N4O3/c1-8-12-7-10(15(17)18)14(8)11(16)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,16)
InChIKeyZHPWVZPIJOMAAL-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.99
Rot. Bonds2

About N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide

N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide (PubChem CID 20788089) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide
PubChem CID20788089
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide
SMILESCc1ncc([N+](=O)[O-])n1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16N4O3/c1-8-12-7-10(15(17)18)14(8)11(16)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,16)
InChIKeyZHPWVZPIJOMAAL-UHFFFAOYSA-N
XLogP1.99
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.99
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,N,2-trimethyl-5-nitroimidazole-1-carboxamide
CID 154348868
1-cyclohexyl-3-[1-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperidin-4-yl]urea
CID 86803452
N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 47458927
2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone
CID 134052222
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619
N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide
CID 35398892
N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19578053
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
ethane;2-methyl-5-nitro-1-propan-2-ylimidazole
CID 143610883

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide (CID 20788089) is N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide is Cc1ncc([N+](=O)[O-])n1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide?
The InChIKey is ZHPWVZPIJOMAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-12-7-10(15(17)18)14(8)11(16)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,16).
What are the key properties of N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide?
N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide is sourced from PubChem (CID 20788089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).