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

C105H110N15+5 — CID 158283068

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

6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole (PubChem CID 158283068) has the molecular formula C105H110N15+5 and a molecular weight of 1586.16 g/mol. Its IUPAC name is 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole
• PubChem CID: 158283068
• Molecular Formula: C105H110N15+5
• Molecular Weight: 1586.16 g/mol
• Exact Mass: 1584.93
• IUPAC Name: 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole
• SMILES: Cc1c[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)cc1C(C)C.Cc1c[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)cc1CC(C)(C)C.Cc1cc[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)c1.[2H]C(C)(C)c1cc[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2nc2ccccn23)[n+](C)c1
• InChI: InChI=1S/C24H28N3.C22H24N3.C21H22N3.2C19H18N3/c1-16-10-11-19-23(25-21-9-7-8-12-27(19)21)22(16)20-13-18(14-24(3,4)5)17(2)15-26(20)6;1-14(2)17-12-19(24(5)13-16(17)4)21-15(3)9-10-18-22(21)23-20-8-6-7-11-25(18)20;1-14(2)16-10-12-23(4)18(13-16)20-15(3)8-9-17-21(20)22-19-7-5-6-11-24(17)19;1-13-7-9-15(21(3)12-13)18-14(2)8-10-16-19(18)20-17-6-4-5-11-22(16)17;1-13-9-11-21(3)16(12-13)18-14(2)7-8-15-19(18)20-17-6-4-5-10-22(15)17/h7-13,15H,14H2,1-6H3;6-14H,1-5H3;5-14H,1-4H3;2*4-12H,1-3H3/q5*+1/i;;14D;1D3
• InChIKey: AAZLTRYCCAHXTR-DTKCMBPXSA-N
• XLogP: 21.51
• TPSA: 105.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1586.16
LogP ≤ 5	21.51
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 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole?

The IUPAC name of 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole (CID 158283068) is 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole.

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

The canonical SMILES for 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole is Cc1c[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)cc1C(C)C.Cc1c[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)cc1CC(C)(C)C.Cc1cc[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)c1.[2H]C(C)(C)c1cc[n+](C)c(-c2c(C)ccc3c2nc2ccccn23)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2nc2ccccn23)[n+](C)c1.

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

The InChIKey is AAZLTRYCCAHXTR-DTKCMBPXSA-N. The full InChI is InChI=1S/C24H28N3.C22H24N3.C21H22N3.2C19H18N3/c1-16-10-11-19-23(25-21-9-7-8-12-27(19)21)22(16)20-13-18(14-24(3,4)5)17(2)15-26(20)6;1-14(2)17-12-19(24(5)13-16(17)4)21-15(3)9-10-18-22(21)23-20-8-6-7-11-25(18)20;1-14(2)16-10-12-23(4)18(13-16)20-15(3)8-9-17-21(20)22-19-7-5-6-11-24(17)19;1-13-7-9-15(21(3)12-13)18-14(2)8-10-16-19(18)20-17-6-4-5-11-22(16)17;1-13-9-11-21(3)16(12-13)18-14(2)7-8-15-19(18)20-17-6-4-5-10-22(15)17/h7-13,15H,14H2,1-6H3;6-14H,1-5H3;5-14H,1-4H3;2*4-12H,1-3H3/q5*+1/i;;14D;1D3;.

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

6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole has a molecular weight of 1586.16 g/mol, XLogP of 21.51, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;6-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-6-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 158283068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).