1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium

C120H113N10OS+5 — CID 161014304

About 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium

1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium (PubChem CID 161014304) has the molecular formula C120H113N10OS+5 and a molecular weight of 1743.36 g/mol. Its IUPAC name is 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium.

Molecular Properties

• Compound Name: 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium
• PubChem CID: 161014304
• Molecular Formula: C120H113N10OS+5
• Molecular Weight: 1743.36 g/mol
• Exact Mass: 1741.88
• IUPAC Name: 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium
• SMILES: Cc1cccc(C)c1-c1c[n+](C)c2c3c(C)cccc3c3ccccc3n12.Cc1ccccc1-c1n(-c2c(C)cc3c(oc4ccccc43)c2C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cc3c(sc4ccccc43)c2C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccccc2C)c2ccccc2[n+]1C
• InChI: InChI=1S/C25H23N2O.C25H23N2S.C25H23N2.C23H23N2.C22H21N2/c2*1-16-9-5-6-10-19(16)25-26(4)13-14-27(25)23-17(2)15-21-20-11-7-8-12-22(20)28-24(21)18(23)3;1-16-9-7-10-17(2)23(16)22-15-26(4)25-24-18(3)11-8-13-20(24)19-12-5-6-14-21(19)27(22)25;1-16-10-5-6-13-19(16)23-24(4)20-14-7-8-15-21(20)25(23)22-17(2)11-9-12-18(22)3;1-16-10-4-6-12-18(16)22-23(3)20-14-8-9-15-21(20)24(22)19-13-7-5-11-17(19)2/h2*5-15H,1-4H3;5-15H,1-4H3;5-15H,1-4H3;4-15H,1-3H3/q5*+1
• InChIKey: HZQYVPWLLPZOBK-UHFFFAOYSA-N
• XLogP: 27.50
• TPSA: 56.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1743.36
LogP ≤ 5	27.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium?

The IUPAC name of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium (CID 161014304) is 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium.

What is the SMILES notation for 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium?

The canonical SMILES for 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium is Cc1cccc(C)c1-c1c[n+](C)c2c3c(C)cccc3c3ccccc3n12.Cc1ccccc1-c1n(-c2c(C)cc3c(oc4ccccc43)c2C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cc3c(sc4ccccc43)c2C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccccc2C)c2ccccc2[n+]1C.

What is the InChIKey of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium?

The InChIKey is HZQYVPWLLPZOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O.C25H23N2S.C25H23N2.C23H23N2.C22H21N2/c2*1-16-9-5-6-10-19(16)25-26(4)13-14-27(25)23-17(2)15-21-20-11-7-8-12-22(20)28-24(21)18(23)3;1-16-9-7-10-17(2)23(16)22-15-26(4)25-24-18(3)11-8-13-20(24)19-12-5-6-14-21(19)27(22)25;1-16-10-5-6-13-19(16)23-24(4)20-14-7-8-15-21(20)25(23)22-17(2)11-9-12-18(22)3;1-16-10-4-6-12-18(16)22-23(3)20-14-8-9-15-21(20)24(22)19-13-7-5-11-17(19)2/h2*5-15H,1-4H3;5-15H,1-4H3;5-15H,1-4H3;4-15H,1-3H3/q5*+1.

What are the key properties of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium?

1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium has a molecular weight of 1743.36 g/mol, XLogP of 27.50, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium is sourced from PubChem (CID 161014304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).