4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium

C26H31N2+ — CID 140964900

IUPAC4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
SMILESCc1ccccc1-n1c(C)c2[n+](c1C)-c1ccccc1C2(C)C1CCCCC1
InChIInChI=1S/C26H31N2/c1-18-12-8-10-16-23(18)27-19(2)25-26(4,21-13-6-5-7-14-21)22-15-9-11-17-24(22)28(25)20(27)3/h8-12,15-17,21H,5-7,13-14H2,1-4H3/q+1
InChIKeyWYPOOOAZUYWIRZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP5.88
Rot. Bonds2

About 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium

4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium (PubChem CID 140964900) has the molecular formula C26H31N2+ and a molecular weight of 371.55 g/mol. Its IUPAC name is 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium.

Molecular Properties

Compound Name4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
PubChem CID140964900
Molecular FormulaC26H31N2+
Molecular Weight371.55 g/mol
Exact Mass371.25
IUPAC Name4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
SMILESCc1ccccc1-n1c(C)c2[n+](c1C)-c1ccccc1C2(C)C1CCCCC1
InChIInChI=1S/C26H31N2/c1-18-12-8-10-16-23(18)27-19(2)25-26(4,21-13-6-5-7-14-21)22-15-9-11-17-24(22)28(25)20(27)3/h8-12,15-17,21H,5-7,13-14H2,1-4H3/q+1
InChIKeyWYPOOOAZUYWIRZ-UHFFFAOYSA-N
XLogP5.88
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 55.88
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-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 140964885
1,4,4-tricyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964659
4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964922
3-methyl-2-(2-methylphenyl)-4,4-diphenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 140964909
5,5-dicyclohexyl-1,3-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964973
5-cyclohexyl-1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964587
7,7-dicyclopentyl-3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964867
5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium
CID 140964687
5-cyclohexyl-3-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964665
1-cyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[5,1-b][1,3]benzoxazol-9-ium
CID 140964907
4-cyclopentyl-4-deuterio-3-methyl-2-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,5-a]indol-2-ium;4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium;4-deuterio-3,4-dimethyl-2-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,5-a]indol-2-ium;4-deuterio-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-2-ium;3-methyl-2-(2-methylphenyl)-4,4-diphenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 159911528
3,5-dicyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964508

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
The IUPAC name of 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium (CID 140964900) is 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium.
What is the SMILES notation for 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
The canonical SMILES for 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium is Cc1ccccc1-n1c(C)c2[n+](c1C)-c1ccccc1C2(C)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
The InChIKey is WYPOOOAZUYWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N2/c1-18-12-8-10-16-23(18)27-19(2)25-26(4,21-13-6-5-7-14-21)22-15-9-11-17-24(22)28(25)20(27)3/h8-12,15-17,21H,5-7,13-14H2,1-4H3/q+1.
What are the key properties of 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium has a molecular weight of 371.55 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium is sourced from PubChem (CID 140964900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).