7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium

C25H33N2+ — CID 140964991

IUPAC7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium
SMILES[2H]C1(C2CCCCC2)C=Cn2c1c(C)[n+](-c1ccccc1C)c2C1CCCC1
InChIInChI=1S/C25H33N2/c1-18-10-6-9-15-23(18)27-19(2)24-22(20-11-4-3-5-12-20)16-17-26(24)25(27)21-13-7-8-14-21/h6,9-10,15-17,20-22H,3-5,7-8,11-14H2,1-2H3/q+1/i22D
InChIKeyCATRKAFZXBRDQK-JDANMYFYSA-N
MW362.56 g/mol
LogP6.19
Rot. Bonds3

About 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium

7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium (PubChem CID 140964991) has the molecular formula C25H33N2+ and a molecular weight of 362.56 g/mol. Its IUPAC name is 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium.

Molecular Properties

Compound Name7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium
PubChem CID140964991
Molecular FormulaC25H33N2+
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium
SMILES[2H]C1(C2CCCCC2)C=Cn2c1c(C)[n+](-c1ccccc1C)c2C1CCCC1
InChIInChI=1S/C25H33N2/c1-18-10-6-9-15-23(18)27-19(2)24-22(20-11-4-3-5-12-20)16-17-26(24)25(27)21-13-7-8-14-21/h6,9-10,15-17,20-22H,3-5,7-8,11-14H2,1-2H3/q+1/i22D
InChIKeyCATRKAFZXBRDQK-JDANMYFYSA-N
XLogP6.19
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium with MolForge

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Related Compounds

3-cyclohexyl-7-deuterio-1-methyl-2-(2-methylphenyl)-7-phenylpyrrolo[1,2-c]imidazol-2-ium
CID 140964761
4-cyclohexyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
CID 140964856
4-cyclopentyl-4-deuterio-1,3-dimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-2-ium
CID 140964590
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
3-tert-butyl-7-deuterio-1,7-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium
CID 159027179
2-cyclohexyl-4,5-dimethyl-3-(2-methylphenyl)-1,3-thiazol-3-ium
CID 140964528
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
5-cyclohexyl-3-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)imidazo[5,1-a]isoindol-4-ium
CID 140964527
1-tert-butyl-2-cyclohexylpyridin-1-ium
CID 155615499
5,5-dicyclohexyl-3-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium
CID 140964526

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium?
The IUPAC name of 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium (CID 140964991) is 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium.
What is the SMILES notation for 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium?
The canonical SMILES for 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium is [2H]C1(C2CCCCC2)C=Cn2c1c(C)[n+](-c1ccccc1C)c2C1CCCC1.
What is the InChIKey of 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium?
The InChIKey is CATRKAFZXBRDQK-JDANMYFYSA-N. The full InChI is InChI=1S/C25H33N2/c1-18-10-6-9-15-23(18)27-19(2)24-22(20-11-4-3-5-12-20)16-17-26(24)25(27)21-13-7-8-14-21/h6,9-10,15-17,20-22H,3-5,7-8,11-14H2,1-2H3/q+1/i22D.
What are the key properties of 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium?
7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium has a molecular weight of 362.56 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-3-cyclopentyl-7-deuterio-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-2-ium is sourced from PubChem (CID 140964991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).