3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole

C155H142N19+5 — CID 157420863

About 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole

3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole (PubChem CID 157420863) has the molecular formula C155H142N19+5 and a molecular weight of 2279.02 g/mol. Its IUPAC name is 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole
• PubChem CID: 157420863
• Molecular Formula: C155H142N19+5
• Molecular Weight: 2279.02 g/mol
• Exact Mass: 2277.22
• IUPAC Name: 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole
• SMILES: Cc1c[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)cc1-c1ccccc1.Cc1cc2c(cc1-c1cc(-c3ccccc3)cc[n+]1C)-n1c(nc3ccccc31)C2.Cc1cc2c(cc1N1C=CN(c3ccccc3)[C@@H]1C)-n1ccnc1C2.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)cc1C.[2H]C([2H])(c1cc[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)c1)C1CCCCC1
• InChI: InChI=1S/2C28H24N3.C28H30N3.C27H22N3.C23H22N3.C21H20N4/c2*1-18-13-21-14-28-29-24-11-7-8-12-25(24)31(28)26(21)16-23(18)27-15-22(19(2)17-30(27)3)20-9-5-4-6-10-20;1-19-14-22-17-28-29-24-10-6-7-11-25(24)31(28)26(22)18-23(19)27-16-21(12-13-30(27)2)15-20-8-4-3-5-9-20;1-18-14-21-16-27-28-23-10-6-7-11-24(23)30(27)25(21)17-22(18)26-15-20(12-13-29(26)2)19-8-4-3-5-9-19;1-14-10-22(25(4)13-16(14)3)18-12-21-17(9-15(18)2)11-23-24-19-7-5-6-8-20(19)26(21)23;1-15-12-17-13-21-22-8-9-25(21)20(17)14-19(15)24-11-10-23(16(24)2)18-6-4-3-5-7-18/h2*4-13,15-17H,14H2,1-3H3;6-7,10-14,16,18,20H,3-5,8-9,15,17H2,1-2H3;3-15,17H,16H2,1-2H3;5-10,12-13H,11H2,1-4H3;3-12,14,16H,13H2,1-2H3/q5*+1;/t;;;;;16-/m.....0/s1/i2D3;;15D2;;3D3
• InChIKey: APPMXRQYLIYCQB-ARERWJGXSA-N
• XLogP: 31.23
• TPSA: 132.80 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2279.02
LogP ≤ 5	31.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole?

The IUPAC name of 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole (CID 157420863) is 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole.

What is the SMILES notation for 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole?

The canonical SMILES for 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole is Cc1c[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)cc1-c1ccccc1.Cc1cc2c(cc1-c1cc(-c3ccccc3)cc[n+]1C)-n1c(nc3ccccc31)C2.Cc1cc2c(cc1N1C=CN(c3ccccc3)[C@@H]1C)-n1ccnc1C2.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)cc1C.[2H]C([2H])(c1cc[n+](C)c(-c2cc3c(cc2C)Cc2nc4ccccc4n2-3)c1)C1CCCCC1.

What is the InChIKey of 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole?

The InChIKey is APPMXRQYLIYCQB-ARERWJGXSA-N. The full InChI is InChI=1S/2C28H24N3.C28H30N3.C27H22N3.C23H22N3.C21H20N4/c2*1-18-13-21-14-28-29-24-11-7-8-12-25(24)31(28)26(21)16-23(18)27-15-22(19(2)17-30(27)3)20-9-5-4-6-10-20;1-19-14-22-17-28-29-24-10-6-7-11-25(24)31(28)26(22)18-23(19)27-16-21(12-13-30(27)2)15-20-8-4-3-5-9-20;1-18-14-21-16-27-28-23-10-6-7-11-24(23)30(27)25(21)17-22(18)26-15-20(12-13-29(26)2)19-8-4-3-5-9-19;1-14-10-22(25(4)13-16(14)3)18-12-21-17(9-15(18)2)11-23-24-19-7-5-6-8-20(19)26(21)23;1-15-12-17-13-21-22-8-9-25(21)20(17)14-19(15)24-11-10-23(16(24)2)18-6-4-3-5-7-18/h2*4-13,15-17H,14H2,1-3H3;6-7,10-14,16,18,20H,3-5,8-9,15,17H2,1-2H3;3-15,17H,16H2,1-2H3;5-10,12-13H,11H2,1-4H3;3-12,14,16H,13H2,1-2H3/q5*+1;/t;;;;;16-/m.....0/s1/i2D3;;15D2;;3D3;.

What are the key properties of 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole?

3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole has a molecular weight of 2279.02 g/mol, XLogP of 31.23, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;3-(1,5-dimethyl-4-phenylpyridin-1-ium-2-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;3-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-7-[(2S)-2-methyl-3-phenyl-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;2-methyl-3-(1-methyl-4-phenylpyridin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;2-methyl-3-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole is sourced from PubChem (CID 157420863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).