N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide

C10H14N4O3 — CID 134137625

IUPACN-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H14N4O3/c15-10(12-7-4-2-1-3-5-7)9-11-6-8(13-9)14(16)17/h6-7H,1-5H2,(H,11,13)(H,12,15)
InChIKeyDWTHOJITKVARCN-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.38
Rot. Bonds3

About N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide

N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide (PubChem CID 134137625) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide
PubChem CID134137625
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H14N4O3/c15-10(12-7-4-2-1-3-5-7)9-11-6-8(13-9)14(16)17/h6-7H,1-5H2,(H,11,13)(H,12,15)
InChIKeyDWTHOJITKVARCN-UHFFFAOYSA-N
XLogP1.38
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-Cyclopentyl-2-(2-methyl-5-nitro-imidazol-1-yl)-acetamide
CID 672156
N-methyl-5-nitro-1H-imidazole-2-carboxamide
CID 134157464
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-cyclopropyl-5-nitro-1H-imidazole-2-carboxamide
CID 134132276
N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide
CID 134132749
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350
N-cyclopropyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134142541
(5-nitro-1H-imidazol-2-yl)-pyrrolidin-1-ylmethanone
CID 134148544
7-Cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one
CID 155549113
Nitroimidazolecarboxamide
CID 129641692
N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide
CID 820110

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide (CID 134137625) is N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide is O=C(NC1CCCCC1)c1ncc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide?
The InChIKey is DWTHOJITKVARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-10(12-7-4-2-1-3-5-7)9-11-6-8(13-9)14(16)17/h6-7H,1-5H2,(H,11,13)(H,12,15).
What are the key properties of N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide?
N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 134137625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).