2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole

C92H92N20+8 — CID 157175327

About 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole

2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole (PubChem CID 157175327) has the molecular formula C92H92N20+8 and a molecular weight of 1480.91 g/mol. Its IUPAC name is 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole
• PubChem CID: 157175327
• Molecular Formula: C92H92N20+8
• Molecular Weight: 1480.91 g/mol
• Exact Mass: 1479.80
• IUPAC Name: 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole
• SMILES: Cc1cc(-c2cn3c4ccccc4nc3n2C)[n+](C)c(-c2cccc[n+]2C)c1.Cc1cc[n+](C)c(-c2cccc(-c3cn4c5ccccc5nc4n3C)[n+]2C)c1.Cc1ccc(-c2cccc(-c3cn4c5ccccc5nc4n3C)[n+]2C)[n+](C)c1.[2H]C([2H])([2H])c1cc[n+](C)c(-c2cccc(-c3cn4c5ccccc5nc4n3C)[n+]2C)c1
• InChI: InChI=1S/4C23H23N5/c1-16-13-20(19-11-7-8-12-25(19)2)26(3)21(14-16)22-15-28-18-10-6-5-9-17(18)24-23(28)27(22)4;1-16-12-13-19(25(2)14-16)20-10-7-11-21(26(20)3)22-15-28-18-9-6-5-8-17(18)24-23(28)27(22)4;2*1-16-12-13-25(2)21(14-16)19-10-7-11-20(26(19)3)22-15-28-18-9-6-5-8-17(18)24-23(28)27(22)4/h4*5-15H,1-4H3/q4*+2/i;;1D3
• InChIKey: XGZAVJZVHJIYBV-ASTPDCTMSA-N
• XLogP: 12.47
• TPSA: 119.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.91
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole?

The IUPAC name of 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole (CID 157175327) is 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole.

What is the SMILES notation for 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole?

The canonical SMILES for 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole is Cc1cc(-c2cn3c4ccccc4nc3n2C)[n+](C)c(-c2cccc[n+]2C)c1.Cc1cc[n+](C)c(-c2cccc(-c3cn4c5ccccc5nc4n3C)[n+]2C)c1.Cc1ccc(-c2cccc(-c3cn4c5ccccc5nc4n3C)[n+]2C)[n+](C)c1.[2H]C([2H])([2H])c1cc[n+](C)c(-c2cccc(-c3cn4c5ccccc5nc4n3C)[n+]2C)c1.

What is the InChIKey of 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole?

The InChIKey is XGZAVJZVHJIYBV-ASTPDCTMSA-N. The full InChI is InChI=1S/4C23H23N5/c1-16-13-20(19-11-7-8-12-25(19)2)26(3)21(14-16)22-15-28-18-10-6-5-9-17(18)24-23(28)27(22)4;1-16-12-13-19(25(2)14-16)20-10-7-11-21(26(20)3)22-15-28-18-9-6-5-8-17(18)24-23(28)27(22)4;2*1-16-12-13-25(2)21(14-16)19-10-7-11-20(26(19)3)22-15-28-18-9-6-5-8-17(18)24-23(28)27(22)4/h4*5-15H,1-4H3/q4*+2/i;;1D3;.

What are the key properties of 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole?

2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole has a molecular weight of 1480.91 g/mol, XLogP of 12.47, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-[1-methyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 157175327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).