2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole

C102H120N24+8 — CID 159373050

About 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole

2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole (PubChem CID 159373050) has the molecular formula C102H120N24+8 and a molecular weight of 1700.36 g/mol. Its IUPAC name is 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole.

Molecular Properties

• Compound Name: 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole
• PubChem CID: 159373050
• Molecular Formula: C102H120N24+8
• Molecular Weight: 1700.36 g/mol
• Exact Mass: 1699.12
• IUPAC Name: 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole
• SMILES: [2H]C([2H])([2H])c1cccc(C)c1-n1c(-c2cccc(-c3c(C)n4c(C)c(C([2H])([2H])[2H])nc4n3C)[n+]2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cccc(C)c1-n1cc[n+](C)c1-c1cccc(-c2c(C)n3c(C)c(C([2H])([2H])[2H])nc3n2C)[n+]1C.[2H]C([2H])([2H])c1nc2n(C)c(-c3cccc(-c4n(C)c5ccccc5[n+]4C)[n+]3C)c(C)n2c1C.[2H]C([2H])([2H])c1nc2n(C)c(-c3cccc(-c4n(C)cc[n+]4C)[n+]3C)c(C)n2c1C
• InChI: InChI=1S/C31H34N6.C27H32N6.C24H28N6.C20H26N6/c1-19-13-11-14-20(2)28(19)37-25-16-10-9-15-24(25)34(7)30(37)27-18-12-17-26(33(27)6)29-23(5)36-22(4)21(3)32-31(36)35(29)8;1-17-11-9-12-18(2)24(17)32-16-15-29(6)26(32)23-14-10-13-22(30(23)7)25-21(5)33-20(4)19(3)28-27(33)31(25)8;1-15-16(2)30-17(3)22(29(7)24(30)25-15)20-13-10-14-21(26(20)4)23-27(5)18-11-8-9-12-19(18)28(23)6;1-13-14(2)26-15(3)18(25(7)20(26)21-13)16-9-8-10-17(24(16)6)19-22(4)11-12-23(19)5/h9-18H,1-8H3;9-16H,1-8H3;8-14H,1-7H3;8-12H,1-7H3/q4*+2/i2*1D3,3D3;2*1D3
• InChIKey: FLLYDETVIJUUFO-OPDUXBNNSA-N
• XLogP: 14.12
• TPSA: 139.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.36
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole?

The IUPAC name of 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole (CID 159373050) is 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole.

What is the SMILES notation for 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole?

The canonical SMILES for 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole is [2H]C([2H])([2H])c1cccc(C)c1-n1c(-c2cccc(-c3c(C)n4c(C)c(C([2H])([2H])[2H])nc4n3C)[n+]2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cccc(C)c1-n1cc[n+](C)c1-c1cccc(-c2c(C)n3c(C)c(C([2H])([2H])[2H])nc3n2C)[n+]1C.[2H]C([2H])([2H])c1nc2n(C)c(-c3cccc(-c4n(C)c5ccccc5[n+]4C)[n+]3C)c(C)n2c1C.[2H]C([2H])([2H])c1nc2n(C)c(-c3cccc(-c4n(C)cc[n+]4C)[n+]3C)c(C)n2c1C.

What is the InChIKey of 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole?

The InChIKey is FLLYDETVIJUUFO-OPDUXBNNSA-N. The full InChI is InChI=1S/C31H34N6.C27H32N6.C24H28N6.C20H26N6/c1-19-13-11-14-20(2)28(19)37-25-16-10-9-15-24(25)34(7)30(37)27-18-12-17-26(33(27)6)29-23(5)36-22(4)21(3)32-31(36)35(29)8;1-17-11-9-12-18(2)24(17)32-16-15-29(6)26(32)23-14-10-13-22(30(23)7)25-21(5)33-20(4)19(3)28-27(33)31(25)8;1-15-16(2)30-17(3)22(29(7)24(30)25-15)20-13-10-14-21(26(20)4)23-27(5)18-11-8-9-12-19(18)28(23)6;1-13-14(2)26-15(3)18(25(7)20(26)21-13)16-9-8-10-17(24(16)6)19-22(4)11-12-23(19)5/h9-18H,1-8H3;9-16H,1-8H3;8-14H,1-7H3;8-12H,1-7H3/q4*+2/i2*1D3,3D3;2*1D3.

What are the key properties of 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole?

2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole has a molecular weight of 1700.36 g/mol, XLogP of 14.12, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole is sourced from PubChem (CID 159373050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).