2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole

C91H114N20+8 — CID 159780360

About 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole

2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole (PubChem CID 159780360) has the molecular formula C91H114N20+8 and a molecular weight of 1497.11 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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole.

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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole
• PubChem CID: 159780360
• Molecular Formula: C91H114N20+8
• Molecular Weight: 1497.11 g/mol
• Exact Mass: 1496.01
• IUPAC Name: 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole
• SMILES: Cc1cc(C)c(-c2cccc[n+]2C)[n+](C)c1-c1cn2c(C)c(C)nc2n1C.Cc1cc[n+](C)c(-c2c(C)cc(C)c(-c3cn4c(C)c(C)nc4n3C)[n+]2C)c1.Cc1ccc(-c2c(C)cc(C)c(-c3cn4c(C)c(C)nc4n3C)[n+]2C)[n+](C)c1.[2H]C([2H])([2H])c1cc[n+](C)c(-c2c(C([2H])([2H])[2H])cc(C)c(-c3cn4c(C)c(C([2H])([2H])[2H])nc4n3C)[n+]2C)c1
• InChI: InChI=1S/3C23H29N5.C22H27N5/c1-14-9-10-19(25(6)12-14)21-15(2)11-16(3)22(27(21)8)20-13-28-18(5)17(4)24-23(28)26(20)7;2*1-14-9-10-25(6)19(11-14)21-15(2)12-16(3)22(27(21)8)20-13-28-18(5)17(4)24-23(28)26(20)7;1-14-12-15(2)21(26(7)20(14)18-10-8-9-11-24(18)5)19-13-27-17(4)16(3)23-22(27)25(19)6/h3*9-13H,1-8H3;8-13H,1-7H3/q4*+2/i;1D3,2D3,4D3
• InChIKey: OZZOEUSZQYWIJW-ZUQJRLKRSA-N
• XLogP: 12.48
• TPSA: 119.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.11
LogP ≤ 5	12.48
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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?

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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole (CID 159780360) is 2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole.

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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?

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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole is Cc1cc(C)c(-c2cccc[n+]2C)[n+](C)c1-c1cn2c(C)c(C)nc2n1C.Cc1cc[n+](C)c(-c2c(C)cc(C)c(-c3cn4c(C)c(C)nc4n3C)[n+]2C)c1.Cc1ccc(-c2c(C)cc(C)c(-c3cn4c(C)c(C)nc4n3C)[n+]2C)[n+](C)c1.[2H]C([2H])([2H])c1cc[n+](C)c(-c2c(C([2H])([2H])[2H])cc(C)c(-c3cn4c(C)c(C([2H])([2H])[2H])nc4n3C)[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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?

The InChIKey is OZZOEUSZQYWIJW-ZUQJRLKRSA-N. The full InChI is InChI=1S/3C23H29N5.C22H27N5/c1-14-9-10-19(25(6)12-14)21-15(2)11-16(3)22(27(21)8)20-13-28-18(5)17(4)24-23(28)26(20)7;2*1-14-9-10-25(6)19(11-14)21-15(2)12-16(3)22(27(21)8)20-13-28-18(5)17(4)24-23(28)26(20)7;1-14-12-15(2)21(26(7)20(14)18-10-8-9-11-24(18)5)19-13-27-17(4)16(3)23-22(27)25(19)6/h3*9-13H,1-8H3;8-13H,1-7H3/q4*+2/i;1D3,2D3,4D3;;.

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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?

2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole has a molecular weight of 1497.11 g/mol, XLogP of 12.48, 11 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]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole is sourced from PubChem (CID 159780360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).