2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium

C202H238N20+10 — CID 157063849

About 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium

2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium (PubChem CID 157063849) has the molecular formula C202H238N20+10 and a molecular weight of 2946.27 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium
• PubChem CID: 157063849
• Molecular Formula: C202H238N20+10
• Molecular Weight: 2946.27 g/mol
• Exact Mass: 2943.92
• IUPAC Name: 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium
• SMILES: Cc1cc(-c2ccccc2)ccc1-c1n(C)c2ccccc2[n+]1C.Cc1cc(C(C)(C)C)ccc1-c1n(C)c2ccccc2[n+]1C.Cc1cc(C(C)C)c(C)cc1-c1n(C)c2ccccc2[n+]1C.Cc1cc(C(C)C)ccc1-c1n(C)c2ccccc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2ccccc2[n+]1C.Cc1ccc(-c2n(C)c3ccccc3[n+]2C)c(C)c1.Cc1ccc(C(C)(C)C)cc1-c1n(C(C)C)c2ccccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C)c2ccccc2[n+]1C.Cc1ccc(C(C)C)cc1-c1n(C(C)C)c2ccccc2[n+]1C.Cc1ccc(C)c(-c2n(C(C)C)c3ccccc3[n+]2C)c1
• InChI: InChI=1S/2C22H21N2.C22H29N2.C21H27N2.3C20H25N2.2C19H23N2.C17H19N2/c1-16-15-18(17-9-5-4-6-10-17)13-14-19(16)22-23(2)20-11-7-8-12-21(20)24(22)3;1-16-13-14-18(17-9-5-4-6-10-17)15-19(16)22-23(2)20-11-7-8-12-21(20)24(22)3;1-15(2)24-20-11-9-8-10-19(20)23(7)21(24)18-14-17(22(4,5)6)13-12-16(18)3;1-14(2)17-12-11-16(5)18(13-17)21-22(6)19-9-7-8-10-20(19)23(21)15(3)4;1-13(2)16-11-15(4)17(12-14(16)3)20-21(5)18-9-7-8-10-19(18)22(20)6;1-14-13-15(20(2,3)4)11-12-16(14)19-21(5)17-9-7-8-10-18(17)22(19)6;1-14-11-12-15(20(2,3)4)13-16(14)19-21(5)17-9-7-8-10-18(17)22(19)6;1-13(2)15-10-11-16(14(3)12-15)19-20(4)17-8-6-7-9-18(17)21(19)5;1-13(2)21-18-9-7-6-8-17(18)20(5)19(21)16-12-14(3)10-11-15(16)4;1-12-9-10-14(13(2)11-12)17-18(3)15-7-5-6-8-16(15)19(17)4/h2*4-15H,1-3H3;8-15H,1-7H3;7-15H,1-6H3;3*7-13H,1-6H3;2*6-13H,1-5H3;5-11H,1-4H3/q10*+1
• InChIKey: HNNWXPDOXCAMJM-UHFFFAOYSA-N
• XLogP: 44.44
• TPSA: 88.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2946.27
LogP ≤ 5	44.44
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-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium?

The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium (CID 157063849) is 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium.

What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium?

The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium is Cc1cc(-c2ccccc2)ccc1-c1n(C)c2ccccc2[n+]1C.Cc1cc(C(C)(C)C)ccc1-c1n(C)c2ccccc2[n+]1C.Cc1cc(C(C)C)c(C)cc1-c1n(C)c2ccccc2[n+]1C.Cc1cc(C(C)C)ccc1-c1n(C)c2ccccc2[n+]1C.Cc1ccc(-c2ccccc2)cc1-c1n(C)c2ccccc2[n+]1C.Cc1ccc(-c2n(C)c3ccccc3[n+]2C)c(C)c1.Cc1ccc(C(C)(C)C)cc1-c1n(C(C)C)c2ccccc2[n+]1C.Cc1ccc(C(C)(C)C)cc1-c1n(C)c2ccccc2[n+]1C.Cc1ccc(C(C)C)cc1-c1n(C(C)C)c2ccccc2[n+]1C.Cc1ccc(C)c(-c2n(C(C)C)c3ccccc3[n+]2C)c1.

What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium?

The InChIKey is HNNWXPDOXCAMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21N2.C22H29N2.C21H27N2.3C20H25N2.2C19H23N2.C17H19N2/c1-16-15-18(17-9-5-4-6-10-17)13-14-19(16)22-23(2)20-11-7-8-12-21(20)24(22)3;1-16-13-14-18(17-9-5-4-6-10-17)15-19(16)22-23(2)20-11-7-8-12-21(20)24(22)3;1-15(2)24-20-11-9-8-10-19(20)23(7)21(24)18-14-17(22(4,5)6)13-12-16(18)3;1-14(2)17-12-11-16(5)18(13-17)21-22(6)19-9-7-8-10-20(19)23(21)15(3)4;1-13(2)16-11-15(4)17(12-14(16)3)20-21(5)18-9-7-8-10-19(18)22(20)6;1-14-13-15(20(2,3)4)11-12-16(14)19-21(5)17-9-7-8-10-18(17)22(19)6;1-14-11-12-15(20(2,3)4)13-16(14)19-21(5)17-9-7-8-10-18(17)22(19)6;1-13(2)15-10-11-16(14(3)12-15)19-20(4)17-8-6-7-9-18(17)21(19)5;1-13(2)21-18-9-7-6-8-17(18)20(5)19(21)16-12-14(3)10-11-15(16)4;1-12-9-10-14(13(2)11-12)17-18(3)15-7-5-6-8-16(15)19(17)4/h2*4-15H,1-3H3;8-15H,1-7H3;7-15H,1-6H3;3*7-13H,1-6H3;2*6-13H,1-5H3;5-11H,1-4H3/q10*+1.

What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium?

2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium has a molecular weight of 2946.27 g/mol, XLogP of 44.44, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methyl-4-propan-2-ylphenyl)benzimidazol-3-ium;2-(2,4-dimethylphenyl)-1,3-dimethylbenzimidazol-3-ium;2-(2,5-dimethylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium;2-(2,5-dimethyl-4-propan-2-ylphenyl)-1,3-dimethylbenzimidazol-3-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-3-propan-2-ylbenzimidazol-1-ium is sourced from PubChem (CID 157063849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).