7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole

C84H88N12+4 — CID 161141863

About 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole

7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole (PubChem CID 161141863) has the molecular formula C84H88N12+4 and a molecular weight of 1268.73 g/mol. Its IUPAC name is 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole
• PubChem CID: 161141863
• Molecular Formula: C84H88N12+4
• Molecular Weight: 1268.73 g/mol
• Exact Mass: 1267.74
• IUPAC Name: 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole
• SMILES: Cc1c[n+](C)c(-c2ccc3c(nc4ccccn43)c2C)cc1C(C)C.Cc1c[n+](C)c(-c2ccc3c(nc4ccccn43)c2C)cc1CC(C)(C)C.Cc1cc[n+](C)c(-c2ccc3c(nc4ccccn43)c2C)c1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(nc4ccccn43)c2C)[n+](C)c1
• InChI: InChI=1S/C24H28N3.C22H24N3.2C19H18N3/c1-16-15-26(6)21(13-18(16)14-24(3,4)5)19-10-11-20-23(17(19)2)25-22-9-7-8-12-27(20)22;1-14(2)18-12-20(24(5)13-15(18)3)17-9-10-19-22(16(17)4)23-21-8-6-7-11-25(19)21;1-13-7-9-16(21(3)12-13)15-8-10-17-19(14(15)2)20-18-6-4-5-11-22(17)18;1-13-9-11-21(3)17(12-13)15-7-8-16-19(14(15)2)20-18-6-4-5-10-22(16)18/h7-13,15H,14H2,1-6H3;6-14H,1-5H3;2*4-12H,1-3H3/q4*+1/i;;1D3
• InChIKey: ZZQUKGLKIKEKFH-ASTPDCTMSA-N
• XLogP: 17.10
• TPSA: 84.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1268.73
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole?

The IUPAC name of 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole (CID 161141863) is 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole.

What is the SMILES notation for 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole?

The canonical SMILES for 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole is Cc1c[n+](C)c(-c2ccc3c(nc4ccccn43)c2C)cc1C(C)C.Cc1c[n+](C)c(-c2ccc3c(nc4ccccn43)c2C)cc1CC(C)(C)C.Cc1cc[n+](C)c(-c2ccc3c(nc4ccccn43)c2C)c1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(nc4ccccn43)c2C)[n+](C)c1.

What is the InChIKey of 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole?

The InChIKey is ZZQUKGLKIKEKFH-ASTPDCTMSA-N. The full InChI is InChI=1S/C24H28N3.C22H24N3.2C19H18N3/c1-16-15-26(6)21(13-18(16)14-24(3,4)5)19-10-11-20-23(17(19)2)25-22-9-7-8-12-27(20)22;1-14(2)18-12-20(24(5)13-15(18)3)17-9-10-19-22(16(17)4)23-21-8-6-7-11-25(19)21;1-13-7-9-16(21(3)12-13)15-8-10-17-19(14(15)2)20-18-6-4-5-11-22(17)18;1-13-9-11-21(3)17(12-13)15-7-8-16-19(14(15)2)20-18-6-4-5-10-22(16)18/h7-13,15H,14H2,1-6H3;6-14H,1-5H3;2*4-12H,1-3H3/q4*+1/i;;1D3;.

What are the key properties of 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole?

7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole has a molecular weight of 1268.73 g/mol, XLogP of 17.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 161141863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).