4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium

C189H177N28OS2+11 — CID 158453124

About 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium

4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium (PubChem CID 158453124) has the molecular formula C189H177N28OS2+11 and a molecular weight of 2920.82 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium.

Molecular Properties

• Compound Name: 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
• PubChem CID: 158453124
• Molecular Formula: C189H177N28OS2+11
• Molecular Weight: 2920.82 g/mol
• Exact Mass: 2918.40
• IUPAC Name: 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
• SMILES: Cc1ccccc1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccnc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccncc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccncn2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cncnc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2nc3ccccc3s2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ncccn2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ncco2)cc[n+]1C.Cc1ccccc1-c1cc(-c2nccs2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ncncn2)cc[n+]1C.Cc1ccccc1-c1cc(-n2ccnc2)cc[n+]1C
• InChI: InChI=1S/C20H17N2S.3C18H17N2.3C17H16N3.C16H15N4.C16H16N3.C16H15N2O.C16H15N2S/c1-14-7-3-4-8-16(14)18-13-15(11-12-22(18)2)20-21-17-9-5-6-10-19(17)23-20;1-14-7-3-4-8-16(14)18-13-15(10-12-20(18)2)17-9-5-6-11-19-17;1-14-6-3-4-8-17(14)18-12-15(9-11-20(18)2)16-7-5-10-19-13-16;1-14-5-3-4-6-17(14)18-13-16(9-12-20(18)2)15-7-10-19-11-8-15;1-13-6-3-4-7-15(13)16-12-14(8-11-20(16)2)17-18-9-5-10-19-17;1-13-5-3-4-6-15(13)17-11-14(8-10-20(17)2)16-7-9-18-12-19-16;1-13-5-3-4-6-16(13)17-9-14(7-8-20(17)2)15-10-18-12-19-11-15;1-12-5-3-4-6-14(12)15-9-13(7-8-20(15)2)16-18-10-17-11-19-16;1-13-5-3-4-6-15(13)16-11-14(7-9-18(16)2)19-10-8-17-12-19;2*1-12-5-3-4-6-14(12)15-11-13(7-9-18(15)2)16-17-8-10-19-16/h3-13H,1-2H3;3*3-13H,1-2H3;3*3-12H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;2*3-11H,1-2H3/q11*+1
• InChIKey: RHHRMPRUWINRBM-UHFFFAOYSA-N
• XLogP: 36.00
• TPSA: 266.99 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2920.82
LogP ≤ 5	36.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?

The IUPAC name of 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium (CID 158453124) is 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium.

What is the SMILES notation for 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?

The canonical SMILES for 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium is Cc1ccccc1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccnc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccncc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccncn2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cncnc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2nc3ccccc3s2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ncccn2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ncco2)cc[n+]1C.Cc1ccccc1-c1cc(-c2nccs2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ncncn2)cc[n+]1C.Cc1ccccc1-c1cc(-n2ccnc2)cc[n+]1C.

What is the InChIKey of 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?

The InChIKey is RHHRMPRUWINRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2S.3C18H17N2.3C17H16N3.C16H15N4.C16H16N3.C16H15N2O.C16H15N2S/c1-14-7-3-4-8-16(14)18-13-15(11-12-22(18)2)20-21-17-9-5-6-10-19(17)23-20;1-14-7-3-4-8-16(14)18-13-15(10-12-20(18)2)17-9-5-6-11-19-17;1-14-6-3-4-8-17(14)18-12-15(9-11-20(18)2)16-7-5-10-19-13-16;1-14-5-3-4-6-17(14)18-13-16(9-12-20(18)2)15-7-10-19-11-8-15;1-13-6-3-4-7-15(13)16-12-14(8-11-20(16)2)17-18-9-5-10-19-17;1-13-5-3-4-6-15(13)17-11-14(8-10-20(17)2)16-7-9-18-12-19-16;1-13-5-3-4-6-16(13)17-9-14(7-8-20(17)2)15-10-18-12-19-11-15;1-12-5-3-4-6-14(12)15-9-13(7-8-20(15)2)16-18-10-17-11-19-16;1-13-5-3-4-6-15(13)16-11-14(7-9-18(16)2)19-10-8-17-12-19;2*1-12-5-3-4-6-14(12)15-11-13(7-9-18(15)2)16-17-8-10-19-16/h3-13H,1-2H3;3*3-13H,1-2H3;3*3-12H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;2*3-11H,1-2H3/q11*+1.

What are the key properties of 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?

4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium has a molecular weight of 2920.82 g/mol, XLogP of 36.00, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-benzothiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;4-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;5-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]pyrimidine;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3-thiazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-3-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium is sourced from PubChem (CID 158453124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).