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

C31H35N2+ — CID 140965151

IUPAC1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
SMILESCc1ccccc1-n1c(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/h5,7-8,11-18,21,27H,6,9-10,19-20H2,1-4H3/q+1
InChIKeyGZIMPWSUIZEINF-UHFFFAOYSA-N
MW435.64 g/mol
LogP7.84
Rot. Bonds4

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

1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium (PubChem CID 140965151) has the molecular formula C31H35N2+ and a molecular weight of 435.64 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
PubChem CID140965151
Molecular FormulaC31H35N2+
Molecular Weight435.64 g/mol
Exact Mass435.28
IUPAC Name1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
SMILESCc1ccccc1-n1c(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/h5,7-8,11-18,21,27H,6,9-10,19-20H2,1-4H3/q+1
InChIKeyGZIMPWSUIZEINF-UHFFFAOYSA-N
XLogP7.84
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 ≤ 57.84
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
The IUPAC name of 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium (CID 140965151) is 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium.
What is the SMILES notation for 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
The canonical SMILES for 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium is Cc1ccccc1-n1c(C)c(-c2ccccc2)[n+](C2CCCCC2)c1-c1c(C)cccc1C.
What is the InChIKey of 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
The InChIKey is GZIMPWSUIZEINF-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/h5,7-8,11-18,21,27H,6,9-10,19-20H2,1-4H3/q+1.
What are the key properties of 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium?
1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium has a molecular weight of 435.64 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium is sourced from PubChem (CID 140965151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).