4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium

C31H35N2+ — CID 140964760

IUPAC4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
SMILESCc1ccccc1-[n+]1c(C)c(C2CCCCC2)n(-c2ccccc2)c1-c1c(C)cccc1C
InChIInChI=1S/C31H35N2/c1-22-14-11-12-21-28(22)32-25(4)30(26-17-7-5-8-18-26)33(27-19-9-6-10-20-27)31(32)29-23(2)15-13-16-24(29)3/h6,9-16,19-21,26H,5,7-8,17-18H2,1-4H3/q+1
InChIKeyOLHLRBGVOVOLOY-UHFFFAOYSA-N
MW435.64 g/mol
LogP7.70
Rot. Bonds4

About 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium

4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium (PubChem CID 140964760) has the molecular formula C31H35N2+ and a molecular weight of 435.64 g/mol. Its IUPAC name is 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium.

Molecular Properties

Compound Name4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
PubChem CID140964760
Molecular FormulaC31H35N2+
Molecular Weight435.64 g/mol
Exact Mass435.28
IUPAC Name4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
SMILESCc1ccccc1-[n+]1c(C)c(C2CCCCC2)n(-c2ccccc2)c1-c1c(C)cccc1C
InChIInChI=1S/C31H35N2/c1-22-14-11-12-21-28(22)32-25(4)30(26-17-7-5-8-18-26)33(27-19-9-6-10-20-27)31(32)29-23(2)15-13-16-24(29)3/h6,9-16,19-21,26H,5,7-8,17-18H2,1-4H3/q+1
InChIKeyOLHLRBGVOVOLOY-UHFFFAOYSA-N
XLogP7.70
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.64
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
CID 140964856
4-cyclopentyl-5-methyl-1-(2-methylphenyl)-3-phenyl-2-(trideuteriomethyl)imidazol-1-ium
CID 140964684
4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964922
3-cyclohexyl-7-deuterio-1-methyl-2-(2-methylphenyl)-7-phenylpyrrolo[1,2-c]imidazol-2-ium
CID 140964761
2-cyclohexyl-4,5-dimethyl-3-(2-methylphenyl)-1,3-thiazol-3-ium
CID 140964528
7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium
CID 140964991
4-cyclopentyl-4-deuterio-1,3-dimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-2-ium
CID 140964590
2,5-dicyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)imidazol-3-ium
CID 140964981
1,4,4-tricyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964659
1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
CID 140965151
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
CID 14621245

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
The IUPAC name of 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium (CID 140964760) is 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium.
What is the SMILES notation for 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
The canonical SMILES for 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium is Cc1ccccc1-[n+]1c(C)c(C2CCCCC2)n(-c2ccccc2)c1-c1c(C)cccc1C.
What is the InChIKey of 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
The InChIKey is OLHLRBGVOVOLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N2/c1-22-14-11-12-21-28(22)32-25(4)30(26-17-7-5-8-18-26)33(27-19-9-6-10-20-27)31(32)29-23(2)15-13-16-24(29)3/h6,9-16,19-21,26H,5,7-8,17-18H2,1-4H3/q+1.
What are the key properties of 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium has a molecular weight of 435.64 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium is sourced from PubChem (CID 140964760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).