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

C101H110N20+8 — CID 157255803

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

2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole (PubChem CID 157255803) has the molecular formula C101H110N20+8 and a molecular weight of 1619.22 g/mol. Its IUPAC name is 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole
• PubChem CID: 157255803
• Molecular Formula: C101H110N20+8
• Molecular Weight: 1619.22 g/mol
• Exact Mass: 1618.01
• IUPAC Name: 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole
• SMILES: Cc1ccc(-c2c(C)cc(C)c(-c3cn4c5ccccc5nc4n3C)[n+]2C)[n+](C)c1.[2H]C([2H])([2H])c1cc(-c2c(C([2H])([2H])[2H])cc(C)c(-c3cn4c5ccccc5nc4n3C)[n+]2C)[n+](C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cn3c4ccccc4nc3n2C)[n+](C)c1-c1ccc(C)c[n+]1C.[2H]C([2H])([2H])c1cc[n+](C)c(-c2c(C([2H])([2H])[2H])cc(C)c(-c3cn4c5ccccc5nc4n3C)[n+]2C)c1
• InChI: InChI=1S/C26H29N5.3C25H27N5/c1-16-13-22(28(5)14-19(16)4)24-17(2)12-18(3)25(30(24)7)23-15-31-21-11-9-8-10-20(21)27-26(31)29(23)6;2*1-16-11-12-21(27(4)14-16)23-17(2)13-18(3)24(29(23)6)22-15-30-20-10-8-7-9-19(20)26-25(30)28(22)5;1-16-11-12-27(4)21(13-16)23-17(2)14-18(3)24(29(23)6)22-15-30-20-10-8-7-9-19(20)26-25(30)28(22)5/h8-15H,1-7H3;3*7-15H,1-6H3/q4*+2/i1D3,2D3;2D3;;1D3,2D3
• InChIKey: HYPPGIGWNTVHHH-DOZTWMPISA-N
• XLogP: 15.25
• TPSA: 119.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1619.22
LogP ≤ 5	15.25
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-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole?

The IUPAC name of 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole (CID 157255803) is 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole.

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

The canonical SMILES for 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole is Cc1ccc(-c2c(C)cc(C)c(-c3cn4c5ccccc5nc4n3C)[n+]2C)[n+](C)c1.[2H]C([2H])([2H])c1cc(-c2c(C([2H])([2H])[2H])cc(C)c(-c3cn4c5ccccc5nc4n3C)[n+]2C)[n+](C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cn3c4ccccc4nc3n2C)[n+](C)c1-c1ccc(C)c[n+]1C.[2H]C([2H])([2H])c1cc[n+](C)c(-c2c(C([2H])([2H])[2H])cc(C)c(-c3cn4c5ccccc5nc4n3C)[n+]2C)c1.

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

The InChIKey is HYPPGIGWNTVHHH-DOZTWMPISA-N. The full InChI is InChI=1S/C26H29N5.3C25H27N5/c1-16-13-22(28(5)14-19(16)4)24-17(2)12-18(3)25(30(24)7)23-15-31-21-11-9-8-10-20(21)27-26(31)29(23)6;2*1-16-11-12-21(27(4)14-16)23-17(2)13-18(3)24(29(23)6)22-15-30-20-10-8-7-9-19(20)26-25(30)28(22)5;1-16-11-12-27(4)21(13-16)23-17(2)14-18(3)24(29(23)6)22-15-30-20-10-8-7-9-19(20)26-25(30)28(22)5/h8-15H,1-7H3;3*7-15H,1-6H3/q4*+2/i1D3,2D3;2D3;;1D3,2D3.

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

2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole has a molecular weight of 1619.22 g/mol, XLogP of 15.25, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole;2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 157255803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).