2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium

C78H84F4N16+8 — CID 161285638

About 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium

2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium (PubChem CID 161285638) has the molecular formula C78H84F4N16+8 and a molecular weight of 1321.63 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium.

Molecular Properties

• Compound Name: 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium
• PubChem CID: 161285638
• Molecular Formula: C78H84F4N16+8
• Molecular Weight: 1321.63 g/mol
• Exact Mass: 1320.70
• IUPAC Name: 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium
• SMILES: Cc1c(-c2cccc[n+]2C)c(F)nc(F)c1-c1n(C)c2ccccc2[n+]1C.Cc1c(-c2cccc[n+]2C)c(F)nc(F)c1-c1n(C)cc[n+]1C.Cc1c(-c2cccc[n+]2C)cncc1-c1n(C)c2ccccc2[n+]1C.Cc1nc(C)c(-c2n(C)cc[n+]2C)c(C)c1-c1cccc[n+]1C
• InChI: InChI=1S/C21H20F2N4.C21H22N4.C19H24N4.C17H18F2N4/c1-13-17(16-11-7-8-12-25(16)2)19(22)24-20(23)18(13)21-26(3)14-9-5-6-10-15(14)27(21)4;1-15-16(18-9-7-8-12-23(18)2)13-22-14-17(15)21-24(3)19-10-5-6-11-20(19)25(21)4;1-13-17(16-9-7-8-10-21(16)4)14(2)20-15(3)18(13)19-22(5)11-12-23(19)6;1-11-13(12-7-5-6-8-21(12)2)15(18)20-16(19)14(11)17-22(3)9-10-23(17)4/h5-12H,1-4H3;5-14H,1-4H3;7-12H,1-6H3;5-10H,1-4H3/q4*+2
• InChIKey: MIJHIJBKZWYGJS-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 102.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1321.63
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium?

The IUPAC name of 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium (CID 161285638) is 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium.

What is the SMILES notation for 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium?

The canonical SMILES for 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium is Cc1c(-c2cccc[n+]2C)c(F)nc(F)c1-c1n(C)c2ccccc2[n+]1C.Cc1c(-c2cccc[n+]2C)c(F)nc(F)c1-c1n(C)cc[n+]1C.Cc1c(-c2cccc[n+]2C)cncc1-c1n(C)c2ccccc2[n+]1C.Cc1nc(C)c(-c2n(C)cc[n+]2C)c(C)c1-c1cccc[n+]1C.

What is the InChIKey of 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium?

The InChIKey is MIJHIJBKZWYGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4.C21H22N4.C19H24N4.C17H18F2N4/c1-13-17(16-11-7-8-12-25(16)2)19(22)24-20(23)18(13)21-26(3)14-9-5-6-10-15(14)27(21)4;1-15-16(18-9-7-8-12-23(18)2)13-22-14-17(15)21-24(3)19-10-5-6-11-20(19)25(21)4;1-13-17(16-9-7-8-10-21(16)4)14(2)20-15(3)18(13)19-22(5)11-12-23(19)6;1-11-13(12-7-5-6-8-21(12)2)15(18)20-16(19)14(11)17-22(3)9-10-23(17)4/h5-12H,1-4H3;5-14H,1-4H3;7-12H,1-6H3;5-10H,1-4H3/q4*+2.

What are the key properties of 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium?

2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium has a molecular weight of 1321.63 g/mol, XLogP of 10.33, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]-1,3-dimethylbenzimidazol-3-ium;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,6-difluoro-4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;3-(1,3-dimethylimidazol-1-ium-2-yl)-2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)pyridine;1,3-dimethyl-2-[4-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-pyridinyl]benzimidazol-3-ium is sourced from PubChem (CID 161285638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).