1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium

C22H23N2+ — CID 140965134

IUPAC1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium
SMILESCc1ccccc1-n1c(C)c2[n+](c1-c1ccccc1)C(C)(C)C=C2
InChIInChI=1S/C22H23N2/c1-16-10-8-9-13-19(16)23-17(2)20-14-15-22(3,4)24(20)21(23)18-11-6-5-7-12-18/h5-15H,1-4H3/q+1
InChIKeyCQHUMVNPJJJZQJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.81
Rot. Bonds2

About 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium

1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium (PubChem CID 140965134) has the molecular formula C22H23N2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium.

Molecular Properties

Compound Name1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium
PubChem CID140965134
Molecular FormulaC22H23N2+
Molecular Weight315.44 g/mol
Exact Mass315.19
IUPAC Name1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium
SMILESCc1ccccc1-n1c(C)c2[n+](c1-c1ccccc1)C(C)(C)C=C2
InChIInChI=1S/C22H23N2/c1-16-10-8-9-13-19(16)23-17(2)20-14-15-22(3,4)24(20)21(23)18-11-6-5-7-12-18/h5-15H,1-4H3/q+1
InChIKeyCQHUMVNPJJJZQJ-UHFFFAOYSA-N
XLogP4.81
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.81
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-cyclohexyl-1-methyl-2-(2-methylphenyl)-3,5-diphenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964451
1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3-(trideuteriomethyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964404
3-tert-butyl-1-methyl-2-(2-methylphenyl)-5,5-diphenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964877
5-cyclohexyl-3-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964665
5,5-dicyclohexyl-1,3-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964973
3,5-dicyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964508
5-cyclohexyl-1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964587
2-tert-butyl-1,4-dimethyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
CID 140964863
5-deuterio-1,5-dimethyl-2-(2-methylphenyl)-3-phenylimidazo[5,1-a]isoindol-4-ium
CID 140965169
1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
CID 140965151
3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-7,7-diphenylpyrrolo[1,2-c]imidazol-4-ium
CID 140965056
5-cyclohexyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenylimidazo[5,1-a]isoindol-4-ium
CID 140964794

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium?
The IUPAC name of 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium (CID 140965134) is 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium.
What is the SMILES notation for 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium?
The canonical SMILES for 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium is Cc1ccccc1-n1c(C)c2[n+](c1-c1ccccc1)C(C)(C)C=C2.
What is the InChIKey of 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium?
The InChIKey is CQHUMVNPJJJZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2/c1-16-10-8-9-13-19(16)23-17(2)20-14-15-22(3,4)24(20)21(23)18-11-6-5-7-12-18/h5-15H,1-4H3/q+1.
What are the key properties of 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium?
1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium has a molecular weight of 315.44 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-2-(2-methylphenyl)-3-phenylpyrrolo[1,2-c]imidazol-4-ium is sourced from PubChem (CID 140965134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).