7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole

C77H74N12+4 — CID 159829117

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

7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole (PubChem CID 159829117) has the molecular formula C77H74N12+4 and a molecular weight of 1167.52 g/mol. Its IUPAC name is 7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
• PubChem CID: 159829117
• Molecular Formula: C77H74N12+4
• Molecular Weight: 1167.52 g/mol
• Exact Mass: 1166.61
• IUPAC Name: 7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
• SMILES: Cc1cc2c(cc1-c1cc(C(C)C)cc[n+]1C)nc1ccccn12.Cc1cc2c(cc1-c1cccc[n+]1C)nc1ccccn12.Cc1cc[n+](C)c(-c2cc3nc4ccccn4c3cc2C)c1.Cc1ccc(-c2cc3nc4ccccn4c3cc2C)[n+](C)c1
• InChI: InChI=1S/C21H22N3.2C19H18N3.C18H16N3/c1-14(2)16-8-10-23(4)19(12-16)17-13-18-20(11-15(17)3)24-9-6-5-7-21(24)22-18;1-13-7-8-17(21(3)12-13)15-11-16-18(10-14(15)2)22-9-5-4-6-19(22)20-16;1-13-7-9-21(3)17(10-13)15-12-16-18(11-14(15)2)22-8-5-4-6-19(22)20-16;1-13-11-17-15(19-18-8-4-6-10-21(17)18)12-14(13)16-7-3-5-9-20(16)2/h5-14H,1-4H3;2*4-12H,1-3H3;3-12H,1-2H3/q4*+1
• InChIKey: UEYUVDGYPMSRAA-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 84.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.52
LogP ≤ 5	14.89
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-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?

The IUPAC name of 7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole (CID 159829117) is 7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole.

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

The canonical SMILES for 7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole is Cc1cc2c(cc1-c1cc(C(C)C)cc[n+]1C)nc1ccccn12.Cc1cc2c(cc1-c1cccc[n+]1C)nc1ccccn12.Cc1cc[n+](C)c(-c2cc3nc4ccccn4c3cc2C)c1.Cc1ccc(-c2cc3nc4ccccn4c3cc2C)[n+](C)c1.

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

The InChIKey is UEYUVDGYPMSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N3.2C19H18N3.C18H16N3/c1-14(2)16-8-10-23(4)19(12-16)17-13-18-20(11-15(17)3)24-9-6-5-7-21(24)22-18;1-13-7-8-17(21(3)12-13)15-11-16-18(10-14(15)2)22-9-5-4-6-19(22)20-16;1-13-7-9-21(3)17(10-13)15-12-16-18(11-14(15)2)22-8-5-4-6-19(22)20-16;1-13-11-17-15(19-18-8-4-6-10-21(17)18)12-14(13)16-7-3-5-9-20(16)2/h5-14H,1-4H3;2*4-12H,1-3H3;3-12H,1-2H3/q4*+1.

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

7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole has a molecular weight of 1167.52 g/mol, XLogP of 14.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 159829117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).