4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole

C18H26N2 — CID 156674418

IUPAC4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole
SMILESCN1C=C(C2CCC(C)(C)CC2)N(c2ccccc2)C1
InChIInChI=1S/C18H26N2/c1-18(2)11-9-15(10-12-18)17-13-19(3)14-20(17)16-7-5-4-6-8-16/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyOJAUUAWLYLUIJT-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.45
Rot. Bonds2

About 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole

4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole (PubChem CID 156674418) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole
PubChem CID156674418
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole
SMILESCN1C=C(C2CCC(C)(C)CC2)N(c2ccccc2)C1
InChIInChI=1S/C18H26N2/c1-18(2)11-9-15(10-12-18)17-13-19(3)14-20(17)16-7-5-4-6-8-16/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyOJAUUAWLYLUIJT-UHFFFAOYSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane
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6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline
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1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole
CID 140790065
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
ethane;3-methyl-1-phenylimidazolidine-2,4-dione
CID 145288256
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one
CID 102522511

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole (CID 156674418) is 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole is CN1C=C(C2CCC(C)(C)CC2)N(c2ccccc2)C1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole?
The InChIKey is OJAUUAWLYLUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-18(2)11-9-15(10-12-18)17-13-19(3)14-20(17)16-7-5-4-6-8-16/h4-8,13,15H,9-12,14H2,1-3H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole?
4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole has a molecular weight of 270.42 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)-1-methyl-3-phenyl-2H-imidazole is sourced from PubChem (CID 156674418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).