2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole

C144H138N21O3S3+9 — CID 159790094

About 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole

2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole (PubChem CID 159790094) has the molecular formula C144H138N21O3S3+9 and a molecular weight of 2307.03 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole
• PubChem CID: 159790094
• Molecular Formula: C144H138N21O3S3+9
• Molecular Weight: 2307.03 g/mol
• Exact Mass: 2305.04
• IUPAC Name: 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole
• SMILES: Cc1ccccc1-c1c(-c2ncco2)ccc[n+]1C.Cc1ccccc1-c1c(-c2nccs2)ccc[n+]1C.Cc1ccccc1-c1c(-n2ccnc2)ccc[n+]1C.Cc1ccccc1-c1ccc(-c2ncco2)c[n+]1C.Cc1ccccc1-c1ccc(-c2nccs2)c[n+]1C.Cc1ccccc1-c1ccc(-n2ccnc2)c[n+]1C.Cc1ccccc1-c1cccc(-c2ncco2)[n+]1C.Cc1ccccc1-c1cccc(-c2nccs2)[n+]1C.Cc1ccccc1-c1cccc(-n2ccnc2)[n+]1C
• InChI: InChI=1S/3C16H16N3.3C16H15N2O.3C16H15N2S/c1-13-6-3-4-7-14(13)16-15(8-5-10-18(16)2)19-11-9-17-12-19;1-13-6-3-4-7-14(13)15-8-5-9-16(18(15)2)19-11-10-17-12-19;1-13-5-3-4-6-15(13)16-8-7-14(11-18(16)2)19-10-9-17-12-19;1-12-6-3-4-7-13(12)15-14(8-5-10-18(15)2)16-17-9-11-19-16;1-12-6-3-4-7-13(12)14-8-5-9-15(18(14)2)16-17-10-11-19-16;1-12-5-3-4-6-14(12)15-8-7-13(11-18(15)2)16-17-9-10-19-16;1-12-6-3-4-7-13(12)15-14(8-5-10-18(15)2)16-17-9-11-19-16;1-12-6-3-4-7-13(12)14-8-5-9-15(18(14)2)16-17-10-11-19-16;1-12-5-3-4-6-14(12)15-8-7-13(11-18(15)2)16-17-9-10-19-16/h3*3-12H,1-2H3;6*3-11H,1-2H3/q9*+1
• InChIKey: STADIJHCHKTHGI-UHFFFAOYSA-N
• XLogP: 28.27
• TPSA: 205.14 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2307.03
LogP ≤ 5	28.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole?

The IUPAC name of 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole (CID 159790094) is 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole.

What is the SMILES notation for 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole?

The canonical SMILES for 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole is Cc1ccccc1-c1c(-c2ncco2)ccc[n+]1C.Cc1ccccc1-c1c(-c2nccs2)ccc[n+]1C.Cc1ccccc1-c1c(-n2ccnc2)ccc[n+]1C.Cc1ccccc1-c1ccc(-c2ncco2)c[n+]1C.Cc1ccccc1-c1ccc(-c2nccs2)c[n+]1C.Cc1ccccc1-c1ccc(-n2ccnc2)c[n+]1C.Cc1ccccc1-c1cccc(-c2ncco2)[n+]1C.Cc1ccccc1-c1cccc(-c2nccs2)[n+]1C.Cc1ccccc1-c1cccc(-n2ccnc2)[n+]1C.

What is the InChIKey of 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole?

The InChIKey is STADIJHCHKTHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H16N3.3C16H15N2O.3C16H15N2S/c1-13-6-3-4-7-14(13)16-15(8-5-10-18(16)2)19-11-9-17-12-19;1-13-6-3-4-7-14(13)15-8-5-9-16(18(15)2)19-11-10-17-12-19;1-13-5-3-4-6-15(13)16-8-7-14(11-18(16)2)19-10-9-17-12-19;1-12-6-3-4-7-13(12)15-14(8-5-10-18(15)2)16-17-9-11-19-16;1-12-6-3-4-7-13(12)14-8-5-9-15(18(14)2)16-17-10-11-19-16;1-12-5-3-4-6-14(12)15-8-7-13(11-18(15)2)16-17-9-10-19-16;1-12-6-3-4-7-13(12)15-14(8-5-10-18(15)2)16-17-9-11-19-16;1-12-6-3-4-7-13(12)14-8-5-9-15(18(14)2)16-17-10-11-19-16;1-12-5-3-4-6-14(12)15-8-7-13(11-18(15)2)16-17-9-10-19-16/h3*3-12H,1-2H3;6*3-11H,1-2H3/q9*+1.

What are the key properties of 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole?

2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole has a molecular weight of 2307.03 g/mol, XLogP of 28.27, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole is sourced from PubChem (CID 159790094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).