1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C67H66F2Ir5N11-5 — CID 160502731

About 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 160502731) has the molecular formula C67H66F2Ir5N11-5 and a molecular weight of 2024.42 g/mol. Its IUPAC name is 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

• Compound Name: 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• PubChem CID: 160502731
• Molecular Formula: C67H66F2Ir5N11-5
• Molecular Weight: 2024.42 g/mol
• Exact Mass: 2027.36
• IUPAC Name: 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• SMILES: CN1CCN=C1c1[c-]cc(F)cc1F.Cc1[c-]c(C2=NCCN2C)cc(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[C-]#[N+]c1cc[c-]c(C2=NCCN2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1=NCCN1Cc1ccccc1
• InChI: InChI=1S/C18H17N2.C16H15N2.C12H15N2.C11H10N3.C10H9F2N2.5Ir/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-9-6-10(2)8-11(7-9)12-13-4-5-14(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;;;;;/h4-7,9-12H,1-3H3;1-9H,11-13H2;6-7H,4-5H2,1-3H3;3,5,8H,6-7H2,2H3;2,6H,4-5H2,1H3;;;;;/q5*-1
• InChIKey: UDTPIYQFBPITIC-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 84.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2024.42
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The IUPAC name of 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 160502731) is 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

What is the SMILES notation for 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The canonical SMILES for 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is CN1CCN=C1c1[c-]cc(F)cc1F.Cc1[c-]c(C2=NCCN2C)cc(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[C-]#[N+]c1cc[c-]c(C2=NCCN2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1=NCCN1Cc1ccccc1.

What is the InChIKey of 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The InChIKey is UDTPIYQFBPITIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.C16H15N2.C12H15N2.C11H10N3.C10H9F2N2.5Ir/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-9-6-10(2)8-11(7-9)12-13-4-5-14(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;;;;;/h4-7,9-12H,1-3H3;1-9H,11-13H2;6-7H,4-5H2,1-3H3;3,5,8H,6-7H2,2H3;2,6H,4-5H2,1H3;;;;;/q5*-1;;;;;.

What are the key properties of 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 2024.42 g/mol, XLogP of 11.98, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 160502731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).