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

C19H27N2+ — CID 140964687

IUPAC5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium
SMILES[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c(C2CCCCC2)[n+]1C
InChIInChI=1S/C19H27N2/c1-14-10-8-9-13-18(14)21-15(2)19(20(4)16(21)3)17-11-6-5-7-12-17/h8-10,13,17H,5-7,11-12H2,1-4H3/q+1/i3D3
InChIKeyUXNYHKHFJUNQPT-HPRDVNIFSA-N
MW286.46 g/mol
LogP4.27
Rot. Bonds3

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

5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium (PubChem CID 140964687) has the molecular formula C19H27N2+ and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium.

Molecular Properties

Compound Name5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium
PubChem CID140964687
Molecular FormulaC19H27N2+
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium
SMILES[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c(C2CCCCC2)[n+]1C
InChIInChI=1S/C19H27N2/c1-14-10-8-9-13-18(14)21-15(2)19(20(4)16(21)3)17-11-6-5-7-12-17/h8-10,13,17H,5-7,11-12H2,1-4H3/q+1/i3D3
InChIKeyUXNYHKHFJUNQPT-HPRDVNIFSA-N
XLogP4.27
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.27
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

5,5-dicyclohexyl-1,3-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964973
1-cyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[5,1-b][1,3]benzoxazol-9-ium
CID 140964907
4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 140964885
4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964900
1,4,4-tricyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964659
5-cyclohexyl-3-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964665
4-cyclopentyl-5-methyl-1-(2-methylphenyl)-3-phenyl-2-(trideuteriomethyl)imidazol-1-ium
CID 140964684
5-cyclohexyl-1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964587
5-cyclohexyl-3-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)imidazo[5,1-a]isoindol-4-ium
CID 140964527
3,5-dicyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964508
3-benzylsulfanyl-5-cyclohexyl-4-(2-methylphenyl)-1,2,4-triazole
CID 42798458
3-cyclohexyl-1-(2-methylphenyl)pyrazol-5-amine
CID 82088784

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium?
The IUPAC name of 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium (CID 140964687) is 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium.
What is the SMILES notation for 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium?
The canonical SMILES for 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium is [2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c(C2CCCCC2)[n+]1C.
What is the InChIKey of 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium?
The InChIKey is UXNYHKHFJUNQPT-HPRDVNIFSA-N. The full InChI is InChI=1S/C19H27N2/c1-14-10-8-9-13-18(14)21-15(2)19(20(4)16(21)3)17-11-6-5-7-12-17/h8-10,13,17H,5-7,11-12H2,1-4H3/q+1/i3D3.
What are the key properties of 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium?
5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium has a molecular weight of 286.46 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium is sourced from PubChem (CID 140964687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).