2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium

C129H164N16+6 — CID 158219134

About 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium

2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium (PubChem CID 158219134) has the molecular formula C129H164N16+6 and a molecular weight of 1938.84 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium.

Molecular Properties

• Compound Name: 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium
• PubChem CID: 158219134
• Molecular Formula: C129H164N16+6
• Molecular Weight: 1938.84 g/mol
• Exact Mass: 1937.33
• IUPAC Name: 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium
• SMILES: Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-[n+]2cc3ccccc3n2C)n1C.Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-c2cnc(C)n2C)n1C.Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-c2nc3ccccc3n2C)n1C.Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-n2ccc[n+]2C)n1C
• InChI: InChI=1S/C34H42N4.C34H41N4.C31H41N4.C30H40N4/c1-23(2)27-17-14-18-28(24(3)4)32(27)37-22-31(34(6,7)29-19-12-10-15-25(29)5)35(8)33(37)38-21-26-16-11-13-20-30(26)36(38)9;1-22(2)25-16-14-17-26(23(3)4)31(25)38-21-30(34(6,7)27-18-11-10-15-24(27)5)37(9)33(38)32-35-28-19-12-13-20-29(28)36(32)8;1-20(2)24-15-13-16-25(21(3)4)29(24)35-19-28(31(7,8)26-17-12-11-14-22(26)5)34(10)30(35)27-18-32-23(6)33(27)9;1-21(2)24-15-12-16-25(22(3)4)28(24)33-20-27(30(6,7)26-17-11-10-14-23(26)5)32(9)29(33)34-19-13-18-31(34)8/h10-24H,1-9H3;10-23H,1-9H3;11-21H,1-10H3;10-22H,1-9H3/q+2;2*+1;+2
• InChIKey: QQFXXFPNJPXGFQ-UHFFFAOYSA-N
• XLogP: 27.38
• TPSA: 88.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1938.84
LogP ≤ 5	27.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium?

The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium (CID 158219134) is 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium.

What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium?

The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium is Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-[n+]2cc3ccccc3n2C)n1C.Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-c2cnc(C)n2C)n1C.Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-c2nc3ccccc3n2C)n1C.Cc1ccccc1C(C)(C)c1c[n+](-c2c(C(C)C)cccc2C(C)C)c(-n2ccc[n+]2C)n1C.

What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium?

The InChIKey is QQFXXFPNJPXGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4.C34H41N4.C31H41N4.C30H40N4/c1-23(2)27-17-14-18-28(24(3)4)32(27)37-22-31(34(6,7)29-19-12-10-15-25(29)5)35(8)33(37)38-21-26-16-11-13-20-30(26)36(38)9;1-22(2)25-16-14-17-26(23(3)4)31(25)38-21-30(34(6,7)27-18-11-10-15-24(27)5)37(9)33(38)32-35-28-19-12-13-20-29(28)36(32)8;1-20(2)24-15-13-16-25(21(3)4)29(24)35-19-28(31(7,8)26-17-12-11-14-22(26)5)34(10)30(35)27-18-32-23(6)33(27)9;1-21(2)24-15-12-16-25(22(3)4)28(24)33-20-27(30(6,7)26-17-11-10-14-23(26)5)32(9)29(33)34-19-13-18-31(34)8/h10-24H,1-9H3;10-23H,1-9H3;11-21H,1-10H3;10-22H,1-9H3/q+2;2*+1;+2.

What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium?

2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium has a molecular weight of 1938.84 g/mol, XLogP of 27.38, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylimidazol-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]imidazol-1-ium-2-yl]-1-methylindazol-2-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-[2-(2-methylphenyl)propan-2-yl]-2-(2-methylpyrazol-2-ium-1-yl)imidazol-1-ium is sourced from PubChem (CID 158219134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).