1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium

C118H138N14O4+4 — CID 162119838

About 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium (PubChem CID 162119838) has the molecular formula C118H138N14O4+4 and a molecular weight of 1816.50 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium
• PubChem CID: 162119838
• Molecular Formula: C118H138N14O4+4
• Molecular Weight: 1816.50 g/mol
• Exact Mass: 1815.10
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium
• SMILES: Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2cc3ccccc3n2C)[n+]1C.Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2cccn2C)[n+]1C.Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2nc3ccccc3n2C)[n+]1C.Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2nccn2C)[n+]1C
• InChI: InChI=1S/C32H36N3O.C31H35N4O.C28H34N3O.C27H33N4O/c1-21(2)25-15-12-16-26(22(3)4)31(25)35-20-30(36-29-18-11-8-13-23(29)5)34(7)32(35)28-19-24-14-9-10-17-27(24)33(28)6;1-20(2)23-14-12-15-24(21(3)4)29(23)35-19-28(36-27-18-11-8-13-22(27)5)34(7)31(35)30-32-25-16-9-10-17-26(25)33(30)6;1-19(2)22-13-10-14-23(20(3)4)27(22)31-18-26(32-25-16-9-8-12-21(25)5)30(7)28(31)24-15-11-17-29(24)6;1-18(2)21-12-10-13-22(19(3)4)25(21)31-17-24(32-23-14-9-8-11-20(23)5)30(7)27(31)26-28-15-16-29(26)6/h8-22H,1-7H3;8-21H,1-7H3;8-20H,1-7H3;8-19H,1-7H3/q4*+1
• InChIKey: VWRHDTXVAGMSCK-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 117.66 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1816.50
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium?

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium (CID 162119838) is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium?

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium is Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2cc3ccccc3n2C)[n+]1C.Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2cccn2C)[n+]1C.Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2nc3ccccc3n2C)[n+]1C.Cc1ccccc1Oc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2nccn2C)[n+]1C.

What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium?

The InChIKey is VWRHDTXVAGMSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N3O.C31H35N4O.C28H34N3O.C27H33N4O/c1-21(2)25-15-12-16-26(22(3)4)31(25)35-20-30(36-29-18-11-8-13-23(29)5)34(7)32(35)28-19-24-14-9-10-17-27(24)33(28)6;1-20(2)23-14-12-15-24(21(3)4)29(23)35-19-28(36-27-18-11-8-13-22(27)5)34(7)31(35)30-32-25-16-9-10-17-26(25)33(30)6;1-19(2)22-13-10-14-23(20(3)4)27(22)31-18-26(32-25-16-9-8-12-21(25)5)30(7)28(31)24-15-11-17-29(24)6;1-18(2)21-12-10-13-22(19(3)4)25(21)31-17-24(32-23-14-9-8-11-20(23)5)30(7)27(31)26-28-15-16-29(26)6/h8-22H,1-7H3;8-21H,1-7H3;8-20H,1-7H3;8-19H,1-7H3/q4*+1.

What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium?

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium has a molecular weight of 1816.50 g/mol, XLogP of 27.72, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylimidazol-2-yl)-4-(2-methylphenoxy)imidazol-3-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylbenzimidazole;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)imidazol-3-ium-2-yl]-1-methylindole;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)imidazol-3-ium is sourced from PubChem (CID 162119838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).