4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium

C24H29N2+ — CID 140964856

IUPAC4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
SMILESCc1ccccc1-[n+]1c(C)c(C2CCCCC2)n(-c2ccccc2)c1C
InChIInChI=1S/C24H29N2/c1-18-12-10-11-17-23(18)25-19(2)24(21-13-6-4-7-14-21)26(20(25)3)22-15-8-5-9-16-22/h5,8-12,15-17,21H,4,6-7,13-14H2,1-3H3/q+1
InChIKeyXQZFOPLCZLSKCH-UHFFFAOYSA-N
MW345.51 g/mol
LogP5.73
Rot. Bonds3

About 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium

4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium (PubChem CID 140964856) has the molecular formula C24H29N2+ and a molecular weight of 345.51 g/mol. Its IUPAC name is 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium.

Molecular Properties

Compound Name4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
PubChem CID140964856
Molecular FormulaC24H29N2+
Molecular Weight345.51 g/mol
Exact Mass345.23
IUPAC Name4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
SMILESCc1ccccc1-[n+]1c(C)c(C2CCCCC2)n(-c2ccccc2)c1C
InChIInChI=1S/C24H29N2/c1-18-12-10-11-17-23(18)25-19(2)24(21-13-6-4-7-14-21)26(20(25)3)22-15-8-5-9-16-22/h5,8-12,15-17,21H,4,6-7,13-14H2,1-3H3/q+1
InChIKeyXQZFOPLCZLSKCH-UHFFFAOYSA-N
XLogP5.73
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.73
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-cyclopentyl-5-methyl-1-(2-methylphenyl)-3-phenyl-2-(trideuteriomethyl)imidazol-1-ium
CID 140964684
4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
CID 140964760
4-cyclopentyl-4-deuterio-1,3-dimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-2-ium
CID 140964590
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
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
2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
CID 14621245
3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one
CID 69298374
3-cyclohexyl-4,5-diphenyl-1,2,4-triazole
CID 58240241
5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium
CID 140964687

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
The IUPAC name of 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium (CID 140964856) is 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium.
What is the SMILES notation for 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
The canonical SMILES for 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium is Cc1ccccc1-[n+]1c(C)c(C2CCCCC2)n(-c2ccccc2)c1C.
What is the InChIKey of 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
The InChIKey is XQZFOPLCZLSKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N2/c1-18-12-10-11-17-23(18)25-19(2)24(21-13-6-4-7-14-21)26(20(25)3)22-15-8-5-9-16-22/h5,8-12,15-17,21H,4,6-7,13-14H2,1-3H3/q+1.
What are the key properties of 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium?
4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium has a molecular weight of 345.51 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium is sourced from PubChem (CID 140964856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).