8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole

C104H108N15+5 — CID 158720676

About 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole

8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole (PubChem CID 158720676) has the molecular formula C104H108N15+5 and a molecular weight of 1571.13 g/mol. Its IUPAC name is 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
• PubChem CID: 158720676
• Molecular Formula: C104H108N15+5
• Molecular Weight: 1571.13 g/mol
• Exact Mass: 1569.91
• IUPAC Name: 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
• SMILES: Cc1c[n+](C)c(-c2cc3c(cc2C)nc2ccccn23)cc1CC(C)(C)C.Cc1cc(-c2cc3c(cc2C)nc2ccccn23)[n+](C)cc1C.Cc1cc2nc3ccccn3c2cc1-c1cc(C(C)C)c(C)c[n+]1C.Cc1cc[n+](C)c(-c2cc3c(cc2C)nc2ccccn23)c1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)nc2ccccn23)[n+](C)c1
• InChI: InChI=1S/C24H28N3.C22H24N3.C20H20N3.2C19H18N3/c1-16-11-20-22(27-10-8-7-9-23(27)25-20)13-19(16)21-12-18(14-24(3,4)5)17(2)15-26(21)6;1-14(2)17-11-20(24(5)13-16(17)4)18-12-21-19(10-15(18)3)23-22-8-6-7-9-25(21)22;1-13-10-18(22(4)12-15(13)3)16-11-19-17(9-14(16)2)21-20-7-5-6-8-23(19)20;1-13-7-8-17(21(3)12-13)15-11-18-16(10-14(15)2)20-19-6-4-5-9-22(18)19;1-13-7-9-21(3)17(10-13)15-12-18-16(11-14(15)2)20-19-6-4-5-8-22(18)19/h7-13,15H,14H2,1-6H3;6-14H,1-5H3;5-12H,1-4H3;2*4-12H,1-3H3/q5*+1/i;;;1D3
• InChIKey: SMKLPWUQKFCMEH-GSAFMDPUSA-N
• XLogP: 21.00
• TPSA: 105.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1571.13
LogP ≤ 5	21.00
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 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?

The IUPAC name of 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole (CID 158720676) is 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole.

What is the SMILES notation for 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?

The canonical SMILES for 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole is Cc1c[n+](C)c(-c2cc3c(cc2C)nc2ccccn23)cc1CC(C)(C)C.Cc1cc(-c2cc3c(cc2C)nc2ccccn23)[n+](C)cc1C.Cc1cc2nc3ccccn3c2cc1-c1cc(C(C)C)c(C)c[n+]1C.Cc1cc[n+](C)c(-c2cc3c(cc2C)nc2ccccn23)c1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)nc2ccccn23)[n+](C)c1.

What is the InChIKey of 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?

The InChIKey is SMKLPWUQKFCMEH-GSAFMDPUSA-N. The full InChI is InChI=1S/C24H28N3.C22H24N3.C20H20N3.2C19H18N3/c1-16-11-20-22(27-10-8-7-9-23(27)25-20)13-19(16)21-12-18(14-24(3,4)5)17(2)15-26(21)6;1-14(2)17-11-20(24(5)13-16(17)4)18-12-21-19(10-15(18)3)23-22-8-6-7-9-25(21)22;1-13-10-18(22(4)12-15(13)3)16-11-19-17(9-14(16)2)21-20-7-5-6-8-23(19)20;1-13-7-8-17(21(3)12-13)15-11-18-16(10-14(15)2)20-19-6-4-5-9-22(18)19;1-13-7-9-21(3)17(10-13)15-12-18-16(11-14(15)2)20-19-6-4-5-8-22(18)19/h7-13,15H,14H2,1-6H3;6-14H,1-5H3;5-12H,1-4H3;2*4-12H,1-3H3/q5*+1/i;;;1D3;.

What are the key properties of 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?

8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole has a molecular weight of 1571.13 g/mol, XLogP of 21.00, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 158720676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).