2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)imidazol-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

C91H98F6N12+6 — CID 159994170

About 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)imidazol-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-phenylphenyl)imidazol-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 159994170) has the molecular formula C91H98F6N12+6 and a molecular weight of 1473.86 g/mol. Its IUPAC name is 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)imidazol-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-phenylphenyl)imidazol-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: 159994170
• Molecular Formula: C91H98F6N12+6
• Molecular Weight: 1473.86 g/mol
• Exact Mass: 1472.79
• IUPAC Name: 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)imidazol-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(-c2ccccc2)cc1-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.C18H19N2.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;1-14-9-10-16(15-7-5-4-6-8-15)13-17(14)18-19(2)11-12-20(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;4-13H,1-3H3;3-13H,1-2H3;4-8H,1-3H3;4-7H,1-3H3;4-8H,1-3H3/q6*+1
• InChIKey: NGFZOUPJBOEUIR-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 52.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1473.86
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-phenylphenyl)imidazol-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-phenylphenyl)imidazol-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 159994170) is 2-(2,4-difluoro-6-methylphenyl)-1,3-dimethylimidazol-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)imidazol-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-phenylphenyl)imidazol-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-phenylphenyl)imidazol-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(-c2ccccc2)cc1-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-phenylphenyl)imidazol-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 NGFZOUPJBOEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2.C18H19N2.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;1-14-9-10-16(15-7-5-4-6-8-15)13-17(14)18-19(2)11-12-20(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;4-13H,1-3H3;3-13H,1-2H3;4-8H,1-3H3;4-7H,1-3H3;4-8H,1-3H3/q6*+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-phenylphenyl)imidazol-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-phenylphenyl)imidazol-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 1473.86 g/mol, XLogP of 17.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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-phenylphenyl)imidazol-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 159994170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).