(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium

C96H110N12O+2 — CID 161154499

About (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium

(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium (PubChem CID 161154499) has the molecular formula C96H110N12O+2 and a molecular weight of 1448.02 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium.

Molecular Properties

• Compound Name: (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
• PubChem CID: 161154499
• Molecular Formula: C96H110N12O+2
• Molecular Weight: 1448.02 g/mol
• Exact Mass: 1446.89
• IUPAC Name: (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
• SMILES: Cc1ccc2c(oc3ccccc32)c1N1C=CN(C)[C@@H]1C.Cc1ccccc1-n1c2ccccc2c[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C
• InChI: InChI=1S/C23H30N2.C18H18N2O.C17H18N2.C15H15N2.C12H16N2.C11H13N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;1-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)11-16(17)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h7-17,19H,1-6H3;4-11,13H,1-3H3;3-13,15H,1-2H3;3-11H,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3/q;;;+1;;+1/t19-;13-;15-;;11-;/m100.0./s1
• InChIKey: BZCIFBWTKAQEDF-HHOGREACSA-N
• XLogP: 21.93
• TPSA: 56.68 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1448.02
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?

The IUPAC name of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium (CID 161154499) is (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium.

What is the SMILES notation for (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?

The canonical SMILES for (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium is Cc1ccc2c(oc3ccccc32)c1N1C=CN(C)[C@@H]1C.Cc1ccccc1-n1c2ccccc2c[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@@H]1C.Cc1ccccc1N1C=CN(c2ccccc2)[C@@H]1C.

What is the InChIKey of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?

The InChIKey is BZCIFBWTKAQEDF-HHOGREACSA-N. The full InChI is InChI=1S/C23H30N2.C18H18N2O.C17H18N2.C15H15N2.C12H16N2.C11H13N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2;1-14-8-6-7-11-17(14)19-13-12-18(15(19)2)16-9-4-3-5-10-16;1-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)11-16(17)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h7-17,19H,1-6H3;4-11,13H,1-3H3;3-13,15H,1-2H3;3-11H,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3/q;;;+1;;+1/t19-;13-;15-;;11-;/m100.0./s1.

What are the key properties of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?

(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium has a molecular weight of 1448.02 g/mol, XLogP of 21.93, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;2-methyl-1-(2-methylphenyl)pyrazol-2-ium is sourced from PubChem (CID 161154499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).