2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole

C16H18FN3O2 — CID 59321321

IUPAC2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole
SMILESCc1cn(-c2cc(F)ccc2[N+](=O)[O-])c(C2CCCCC2)n1
InChIInChI=1S/C16H18FN3O2/c1-11-10-19(16(18-11)12-5-3-2-4-6-12)15-9-13(17)7-8-14(15)20(21)22/h7-10,12H,2-6H2,1H3
InChIKeyZKNHGUZEORNPRO-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.28
Rot. Bonds3

About 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole

2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole (PubChem CID 59321321) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole.

Molecular Properties

Compound Name2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole
PubChem CID59321321
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole
SMILESCc1cn(-c2cc(F)ccc2[N+](=O)[O-])c(C2CCCCC2)n1
InChIInChI=1S/C16H18FN3O2/c1-11-10-19(16(18-11)12-5-3-2-4-6-12)15-9-13(17)7-8-14(15)20(21)22/h7-10,12H,2-6H2,1H3
InChIKeyZKNHGUZEORNPRO-UHFFFAOYSA-N
XLogP4.28
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
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

1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine
CID 63256055
(3aR,7aR)-1-(5-fluoro-2-nitrophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 124829406
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
1-[1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285361
1-(5-fluoro-2-nitrophenyl)piperidin-4-one
CID 62377786
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
5-(5-fluoro-2-nitrophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242173
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
ethyl 3-[4-(2-cyclohexylimidazol-1-yl)-3-nitrophenyl]prop-2-enoate
CID 72540853
6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
CID 86795055
(1R,2S)-2-amino-1-cyclohexyl-2-(4-fluoro-2-nitrophenyl)ethanol
CID 171268416

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole?
The IUPAC name of 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole (CID 59321321) is 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole.
What is the SMILES notation for 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole?
The canonical SMILES for 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole is Cc1cn(-c2cc(F)ccc2[N+](=O)[O-])c(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole?
The InChIKey is ZKNHGUZEORNPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-10-19(16(18-11)12-5-3-2-4-6-12)15-9-13(17)7-8-14(15)20(21)22/h7-10,12H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole?
2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole has a molecular weight of 303.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-fluoro-2-nitrophenyl)-4-methylimidazole is sourced from PubChem (CID 59321321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).