1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)

C175H205F7Ir11N25O17-11 — CID 157145526

About 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)

1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid) (PubChem CID 157145526) has the molecular formula C175H205F7Ir11N25O17-11 and a molecular weight of 5178.10 g/mol. Its IUPAC name is 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)
• PubChem CID: 157145526
• Molecular Formula: C175H205F7Ir11N25O17-11
• Molecular Weight: 5178.10 g/mol
• Exact Mass: 5184.18
• IUPAC Name: 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.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.CN(C)c1c[c-]c(-c2nccn2C)cc1.COc1c[c-]c(-c2nccn2C)c(C)c1.COc1c[c-]c(-c2nccn2C)cc1.Cn1c(CO)cnc1-c1[c-]cccc1.Cn1c(F)cnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1Cc1ccccc1
• InChI: InChI=1S/C16H13N2.C15H9F2N2.C12H14N3.C12H13N2O.2C11H11N2O.2C10H7F2N2.C10H8FN2.2C10H9N2.2C6H5NO2.5C5H8O2.11CH4.11Ir/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;1-14(2)11-6-4-10(5-7-11)12-13-8-9-15(12)3;1-9-8-10(15-3)4-5-11(9)12-13-6-7-14(12)2;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;1-13-10(8-14)7-12-11(13)9-5-3-2-4-6-9;2*1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*8-6(9)5-3-1-2-4-7-5;5*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;;;;;;;/h1-9,11-12H,13H2;1-6,8-10H;4,6-9H,1-3H3;4,6-8H,1-3H3;3,5-8H,1-2H3;2-5,7,14H,8H2,1H3;2*2,4-6H,1H3;2-5,7H,1H3;2*2-5,7-8H,1H3;2*1-4H,(H,8,9);5*3,6H,1-2H3;11*1H4;;;;;;;;;;;/q11*-1
• InChIKey: XYROQBFTSJYBKN-UHFFFAOYSA-N
• XLogP: 38.30
• TPSA: 524.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5178.10
LogP ≤ 5	38.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

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;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)?

The IUPAC name of 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid) (CID 157145526) is 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid) is C.C.C.C.C.C.C.C.C.C.C.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.CN(C)c1c[c-]c(-c2nccn2C)cc1.COc1c[c-]c(-c2nccn2C)c(C)c1.COc1c[c-]c(-c2nccn2C)cc1.Cn1c(CO)cnc1-c1[c-]cccc1.Cn1c(F)cnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1Cc1ccccc1.

What is the InChIKey of 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)?

The InChIKey is XYROQBFTSJYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.C15H9F2N2.C12H14N3.C12H13N2O.2C11H11N2O.2C10H7F2N2.C10H8FN2.2C10H9N2.2C6H5NO2.5C5H8O2.11CH4.11Ir/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;1-14(2)11-6-4-10(5-7-11)12-13-8-9-15(12)3;1-9-8-10(15-3)4-5-11(9)12-13-6-7-14(12)2;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;1-13-10(8-14)7-12-11(13)9-5-3-2-4-6-9;2*1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*8-6(9)5-3-1-2-4-7-5;5*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;;;;;;;/h1-9,11-12H,13H2;1-6,8-10H;4,6-9H,1-3H3;4,6-8H,1-3H3;3,5-8H,1-2H3;2-5,7,14H,8H2,1H3;2*2,4-6H,1H3;2-5,7H,1H3;2*2-5,7-8H,1H3;2*1-4H,(H,8,9);5*3,6H,1-2H3;11*1H4;;;;;;;;;;;/q11*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid)?

1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid) has a molecular weight of 5178.10 g/mol, XLogP of 38.30, 25 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-phenylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);undecakis(iridium);methane;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;2-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole);(3-methyl-2-phenylimidazol-4-yl)methanol;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 157145526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).