1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole

C84H63F9Ir7N15-7 — CID 159861495

About 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole

1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole (PubChem CID 159861495) has the molecular formula C84H63F9Ir7N15-7 and a molecular weight of 2799.03 g/mol. Its IUPAC name is 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole.

Molecular Properties

• Compound Name: 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole
• PubChem CID: 159861495
• Molecular Formula: C84H63F9Ir7N15-7
• Molecular Weight: 2799.03 g/mol
• Exact Mass: 2803.27
• IUPAC Name: 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole
• SMILES: Cn1ccnc1-c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cn1ccnc1-c1[c-]cc(F)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Cc1ccccc1
• InChI: InChI=1S/C16H13N2.C15H11N2.C12H7F6N2.C11H8N3.C10H7F2N2.C10H8FN2.C10H9N2.7Ir/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;1-20-3-2-19-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;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;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;;/h1-9,11-12H,13H2;1-7,9-12H;2-4,6H,1H3;3,5-8H,2H3;2,4-6H,1H3;2,4-7H,1H3;2-5,7-8H,1H3;;;;;;;/q7*-1
• InChIKey: XNSKEQJDKVJZRS-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 129.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.03
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?

The IUPAC name of 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole (CID 159861495) is 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole.

What is the SMILES notation for 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?

The canonical SMILES for 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole is Cn1ccnc1-c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cn1ccnc1-c1[c-]cc(F)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Cc1ccccc1.

What is the InChIKey of 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?

The InChIKey is XNSKEQJDKVJZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.C15H11N2.C12H7F6N2.C11H8N3.C10H7F2N2.C10H8FN2.C10H9N2.7Ir/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;1-20-3-2-19-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18;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;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;;/h1-9,11-12H,13H2;1-7,9-12H;2-4,6H,1H3;3,5-8H,2H3;2,4-6H,1H3;2,4-7H,1H3;2-5,7-8H,1H3;;;;;;;/q7*-1;;;;;;;.

What are the key properties of 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?

1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole has a molecular weight of 2799.03 g/mol, XLogP of 19.16, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-phenylimidazole;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole is sourced from PubChem (CID 159861495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).