1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide

C11H16N4O3 — CID 134152602

IUPAC1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide
SMILESNC(=O)c1ncc([N+](=O)[O-])n1CC1CCCCC1
InChIInChI=1S/C11H16N4O3/c12-10(16)11-13-6-9(15(17)18)14(11)7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,16)
InChIKeyFXLXLPUYYRVCJE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.47
Rot. Bonds4

About 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide

1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide (PubChem CID 134152602) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide
PubChem CID134152602
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide
SMILESNC(=O)c1ncc([N+](=O)[O-])n1CC1CCCCC1
InChIInChI=1S/C11H16N4O3/c12-10(16)11-13-6-9(15(17)18)14(11)7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,16)
InChIKeyFXLXLPUYYRVCJE-UHFFFAOYSA-N
XLogP1.47
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.47
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-cyclohexyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 935604
N-cycloheptyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 6456882
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350
1-(Cyclopropylmethyl)-4-nitroimidazole-2-carboxamide
CID 134154736
7-Cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one
CID 155549113
1-(Cyclohexylmethyl)-4-nitroimidazole-2-carboxamide
CID 134138349
1-(Cyclopropylmethyl)-5-nitroimidazole-2-carboxamide
CID 134143253
1-[(4-nitro-1H-imidazol-1-yl)acetyl]piperidine
CID 2860907
1-(2-Ethylhexyl)imidazole-2-carboxamide
CID 70128665
N-(cyclohexylmethyl)-2-(9-nitro-2,3,5,6-tetrahydroimidazo[2,1-b][1,3,6]oxadiazocin-4-yl)acetamide
CID 89580453
2-[[3-[(4-Nitroimidazol-1-yl)methyl]cyclopentyl]amino]-1-pyrrolidin-1-ylethanone
CID 143212068
4-methyl-1-[(4-nitro-1H-imidazol-1-yl)acetyl]piperidine
CID 820101

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide (CID 134152602) is 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide is NC(=O)c1ncc([N+](=O)[O-])n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide?
The InChIKey is FXLXLPUYYRVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-10(16)11-13-6-9(15(17)18)14(11)7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,16).
What are the key properties of 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide?
1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-nitroimidazole-2-carboxamide is sourced from PubChem (CID 134152602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).