1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium

C91H106N10+6 — CID 157326599

About 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium

1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium (PubChem CID 157326599) has the molecular formula C91H106N10+6 and a molecular weight of 1339.92 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium.

Molecular Properties

• Compound Name: 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium
• PubChem CID: 157326599
• Molecular Formula: C91H106N10+6
• Molecular Weight: 1339.92 g/mol
• Exact Mass: 1338.86
• IUPAC Name: 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium
• SMILES: CC(C)c1cccc(C(C)C)c1-n1cc[n+](C)c1-c1cccn1C.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1ccc(-c2ccccc2C)[n+](C)c1.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1cccc[n+]1C.Cn1cccc1-c1n(-c2ccccc2)cc[n+]1C
• InChI: InChI=1S/C21H28N3.C15H16N3.3C14H16N.C13H14N/c1-15(2)17-9-7-10-18(16(3)4)20(17)24-14-13-23(6)21(24)19-11-8-12-22(19)5;1-16-10-6-9-14(16)15-17(2)11-12-18(15)13-7-4-3-5-8-13;1-11-7-4-5-9-13(11)14-12(2)8-6-10-15(14)3;1-11-8-9-15(3)14(10-11)13-7-5-4-6-12(13)2;1-11-8-9-14(15(3)10-11)13-7-5-4-6-12(13)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h7-16H,1-6H3;3-12H,1-2H3;3*4-10H,1-3H3;3-10H,1-2H3/q6*+1
• InChIKey: XMBBHEQUSIRABP-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 43.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.92
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium?

The IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium (CID 157326599) is 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium.

What is the SMILES notation for 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium?

The canonical SMILES for 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium is CC(C)c1cccc(C(C)C)c1-n1cc[n+](C)c1-c1cccn1C.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1ccc(-c2ccccc2C)[n+](C)c1.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1cccc[n+]1C.Cn1cccc1-c1n(-c2ccccc2)cc[n+]1C.

What is the InChIKey of 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium?

The InChIKey is XMBBHEQUSIRABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N3.C15H16N3.3C14H16N.C13H14N/c1-15(2)17-9-7-10-18(16(3)4)20(17)24-14-13-23(6)21(24)19-11-8-12-22(19)5;1-16-10-6-9-14(16)15-17(2)11-12-18(15)13-7-4-3-5-8-13;1-11-7-4-5-9-13(11)14-12(2)8-6-10-15(14)3;1-11-8-9-15(3)14(10-11)13-7-5-4-6-12(13)2;1-11-8-9-14(15(3)10-11)13-7-5-4-6-12(13)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h7-16H,1-6H3;3-12H,1-2H3;3*4-10H,1-3H3;3-10H,1-2H3/q6*+1.

What are the key properties of 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium?

1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium has a molecular weight of 1339.92 g/mol, XLogP of 17.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(1-methylpyrrol-2-yl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)-3-phenylimidazol-1-ium is sourced from PubChem (CID 157326599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).