1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole

C120H100F3Ir10N23O2-10 — CID 158219308

About 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole

1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole (PubChem CID 158219308) has the molecular formula C120H100F3Ir10N23O2-10 and a molecular weight of 3875.44 g/mol. Its IUPAC name is 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole.

Molecular Properties

• Compound Name: 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole
• PubChem CID: 158219308
• Molecular Formula: C120H100F3Ir10N23O2-10
• Molecular Weight: 3875.44 g/mol
• Exact Mass: 3881.47
• IUPAC Name: 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole
• SMILES: Cc1[c-]c(-c2nccn2C)cc(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.Cn1ccnc1-c1[c-]cc(F)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]ccc([N+](=O)[O-])c1.Cn1ccnc1-c1[c-]cccc1.[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1cccnc1.[c-]1ccccc1-c1nccn1Cc1ccccc1
• InChI: InChI=1S/C16H13N2.C15H11N2.C14H10N3.2C12H13N2.C11H8N3.C10H7F2N2.C10H8FN2.C10H8N3O2.C10H9N2.10Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-5-12(6-3-1)14-16-9-10-17(14)13-7-4-8-15-11-13;1-9-6-10(2)8-11(7-9)12-13-4-5-14(12)3;1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;1-12-6-5-11-10(12)8-3-2-4-9(7-8)13(14)15;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;;;;;/h1-9,11-12H,13H2;1-7,9-12H;1-5,7-11H;4-7H,1-3H3;4,6-8H,1-3H3;3,5-8H,2H3;2,4-6H,1H3;2,4-7H,1H3;2,4-7H,1H3;2-5,7-8H,1H3;;;;;;;;;;/q10*-1
• InChIKey: WXEBJDRKRQHHET-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 238.59 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3875.44
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

The IUPAC name of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole (CID 158219308) is 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole.

What is the SMILES notation for 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

The canonical SMILES for 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole is Cc1[c-]c(-c2nccn2C)cc(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.Cn1ccnc1-c1[c-]cc(F)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]ccc([N+](=O)[O-])c1.Cn1ccnc1-c1[c-]cccc1.[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1cccnc1.[c-]1ccccc1-c1nccn1Cc1ccccc1.

What is the InChIKey of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

The InChIKey is WXEBJDRKRQHHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.C15H11N2.C14H10N3.2C12H13N2.C11H8N3.C10H7F2N2.C10H8FN2.C10H8N3O2.C10H9N2.10Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-5-12(6-3-1)14-16-9-10-17(14)13-7-4-8-15-11-13;1-9-6-10(2)8-11(7-9)12-13-4-5-14(12)3;1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;1-12-6-5-11-10(12)8-3-2-4-9(7-8)13(14)15;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;;;;;/h1-9,11-12H,13H2;1-7,9-12H;1-5,7-11H;4-7H,1-3H3;4,6-8H,1-3H3;3,5-8H,2H3;2,4-6H,1H3;2,4-7H,1H3;2,4-7H,1H3;2-5,7-8H,1H3;;;;;;;;;;/q10*-1;;;;;;;;;;.

What are the key properties of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole has a molecular weight of 3875.44 g/mol, XLogP of 24.77, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole is sourced from PubChem (CID 158219308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).