3-benzyl-1-methyl-4-phenylimidazol-1-ium

C17H17N2+ — CID 86655186

IUPAC3-benzyl-1-methyl-4-phenylimidazol-1-ium
SMILESC[n+]1cc(-c2ccccc2)n(Cc2ccccc2)c1
InChIInChI=1S/C17H17N2/c1-18-13-17(16-10-6-3-7-11-16)19(14-18)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3/q+1
InChIKeyZLDZZIOCLMWCLA-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.03
Rot. Bonds3

About 3-benzyl-1-methyl-4-phenylimidazol-1-ium

3-benzyl-1-methyl-4-phenylimidazol-1-ium (PubChem CID 86655186) has the molecular formula C17H17N2+ and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-benzyl-1-methyl-4-phenylimidazol-1-ium.

Molecular Properties

Compound Name3-benzyl-1-methyl-4-phenylimidazol-1-ium
PubChem CID86655186
Molecular FormulaC17H17N2+
Molecular Weight249.34 g/mol
Exact Mass249.14
IUPAC Name3-benzyl-1-methyl-4-phenylimidazol-1-ium
SMILESC[n+]1cc(-c2ccccc2)n(Cc2ccccc2)c1
InChIInChI=1S/C17H17N2/c1-18-13-17(16-10-6-3-7-11-16)19(14-18)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3/q+1
InChIKeyZLDZZIOCLMWCLA-UHFFFAOYSA-N
XLogP3.03
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-benzyl-1-methyl-4-phenylimidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-benzyl-4-phenylimidazol-1-ium-1-yl)propanenitrile
CID 15189288
1-benzyl-4-deuterio-2-phenylpyrrole
CID 102256232
1-benzyl-5-phenylpyrimidin-2-one
CID 14318835
1-benzyl-3-methylimidazol-3-ium chloride
CID 10560335
1-benzyl-3-methylimidazol-3-ium;gold(1+);chloride
CID 25070370
1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
CID 174510723
1-benzyl-3-methylimidazol-3-ium hexafluorophosphate
CID 11461285
1-benzyl-2-fluoro-3,5-diphenylpyrrole
CID 134836340
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309
1-benzyl-7-methyl-2-phenylindole
CID 155931625
1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide
CID 173073256

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-4-phenylimidazol-1-ium?
The IUPAC name of 3-benzyl-1-methyl-4-phenylimidazol-1-ium (CID 86655186) is 3-benzyl-1-methyl-4-phenylimidazol-1-ium.
What is the SMILES notation for 3-benzyl-1-methyl-4-phenylimidazol-1-ium?
The canonical SMILES for 3-benzyl-1-methyl-4-phenylimidazol-1-ium is C[n+]1cc(-c2ccccc2)n(Cc2ccccc2)c1.
What is the InChIKey of 3-benzyl-1-methyl-4-phenylimidazol-1-ium?
The InChIKey is ZLDZZIOCLMWCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2/c1-18-13-17(16-10-6-3-7-11-16)19(14-18)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3/q+1.
What are the key properties of 3-benzyl-1-methyl-4-phenylimidazol-1-ium?
3-benzyl-1-methyl-4-phenylimidazol-1-ium has a molecular weight of 249.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-4-phenylimidazol-1-ium is sourced from PubChem (CID 86655186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).