1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole

C87H89F4Ir5N10O11-5 — CID 160591361

About 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole

1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole (PubChem CID 160591361) has the molecular formula C87H89F4Ir5N10O11-5 and a molecular weight of 2487.80 g/mol. Its IUPAC name is 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole.

Molecular Properties

• Compound Name: 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole
• PubChem CID: 160591361
• Molecular Formula: C87H89F4Ir5N10O11-5
• Molecular Weight: 2487.80 g/mol
• Exact Mass: 2490.48
• IUPAC Name: 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2nccn2C)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1Cc1ccccc1
• InChI: InChI=1S/C16H13N2.C15H9F2N2.C11H11N2O.C10H7F2N2.C10H9N2.5C5H8O2.5Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-12-8-7-11-10(12)9-5-3-2-4-6-9;5*1-4(6)3-5(2)7;;;;;/h1-9,11-12H,13H2;1-6,8-10H;3,5-8H,1-2H3;2,4-6H,1H3;2-5,7-8H,1H3;5*3,6H,1-2H3;;;;;/q5*-1
• InChIKey: LOVPILRQOJNBMG-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 284.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2487.80
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole?

The IUPAC name of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole (CID 160591361) is 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-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-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole?

The canonical SMILES for 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2nccn2C)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[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-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole?

The InChIKey is LOVPILRQOJNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.C15H9F2N2.C11H11N2O.C10H7F2N2.C10H9N2.5C5H8O2.5Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-12-8-7-11-10(12)9-5-3-2-4-6-9;5*1-4(6)3-5(2)7;;;;;/h1-9,11-12H,13H2;1-6,8-10H;3,5-8H,1-2H3;2,4-6H,1H3;2-5,7-8H,1H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole?

1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole has a molecular weight of 2487.80 g/mol, XLogP of 18.14, 14 rotatable bonds, 5 hydrogen bond donors, and 21 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-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole is sourced from PubChem (CID 160591361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).