2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium

C73H79F6N10+5 — CID 158991004

About 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium

2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium (PubChem CID 158991004) has the molecular formula C73H79F6N10+5 and a molecular weight of 1210.49 g/mol. Its IUPAC name is 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium.

Molecular Properties

• Compound Name: 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium
• PubChem CID: 158991004
• Molecular Formula: C73H79F6N10+5
• Molecular Weight: 1210.49 g/mol
• Exact Mass: 1209.64
• IUPAC Name: 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium
• SMILES: Cc1cc(F)cc(F)c1-c1n(C)cc[n+]1C.Cc1cc(F)ccc1-c1n(C)cc[n+]1C.Cc1ccc(C(F)(F)F)cc1-c1n(C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)cc[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)cc[n+]1C
• InChI: InChI=1S/C19H21N2.C17H17N2.C13H14F3N2.C12H13F2N2.C12H14FN2/c1-14-8-5-6-11-17(14)19-20(4)12-13-21(19)18-15(2)9-7-10-16(18)3;1-14-8-6-7-11-16(14)17-18(2)12-13-19(17)15-9-4-3-5-10-15;1-9-4-5-10(13(14,15)16)8-11(9)12-17(2)6-7-18(12)3;1-8-6-9(13)7-10(14)11(8)12-15(2)4-5-16(12)3;1-9-8-10(13)4-5-11(9)12-14(2)6-7-15(12)3/h5-13H,1-4H3;3-13H,1-2H3;4-8H,1-3H3;4-7H,1-3H3;4-8H,1-3H3/q5*+1
• InChIKey: LRTDYIZLNKIUAL-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 44.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.49
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium?

The IUPAC name of 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium (CID 158991004) is 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium.

What is the SMILES notation for 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium?

The canonical SMILES for 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium is Cc1cc(F)cc(F)c1-c1n(C)cc[n+]1C.Cc1cc(F)ccc1-c1n(C)cc[n+]1C.Cc1ccc(C(F)(F)F)cc1-c1n(C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)cc[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)cc[n+]1C.

What is the InChIKey of 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium?

The InChIKey is LRTDYIZLNKIUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2.C17H17N2.C13H14F3N2.C12H13F2N2.C12H14FN2/c1-14-8-5-6-11-17(14)19-20(4)12-13-21(19)18-15(2)9-7-10-16(18)3;1-14-8-6-7-11-16(14)17-18(2)12-13-19(17)15-9-4-3-5-10-15;1-9-4-5-10(13(14,15)16)8-11(9)12-17(2)6-7-18(12)3;1-8-6-9(13)7-10(14)11(8)12-15(2)4-5-16(12)3;1-9-8-10(13)4-5-11(9)12-14(2)6-7-15(12)3/h5-13H,1-4H3;3-13H,1-2H3;4-8H,1-3H3;4-7H,1-3H3;4-8H,1-3H3/q5*+1.

What are the key properties of 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium?

2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium has a molecular weight of 1210.49 g/mol, XLogP of 14.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium is sourced from PubChem (CID 158991004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).