bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)

C190H221F9Ir12N28O13-12 — CID 158086165

About bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)

bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid) (PubChem CID 158086165) has the molecular formula C190H221F9Ir12N28O13-12 and a molecular weight of 5582.63 g/mol. Its IUPAC name is bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)
• PubChem CID: 158086165
• Molecular Formula: C190H221F9Ir12N28O13-12
• Molecular Weight: 5582.63 g/mol
• Exact Mass: 5589.30
• IUPAC Name: bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(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.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cccc1.CN1CCN=C1c1[c-]cccc1.CN1CCN=C1c1[c-]cccc1.COc1c[c-]c(C2=NCCN2C)cc1.Cc1cc(C2=NCCN2C)[c-]c(C(F)(F)F)c1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(C2=NCCN2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1=NCCN1Cc1ccccc1.[c-]1ccccc1C1=NCCN1Cc1ccccc1.[c-]1ccccc1C1=NCCN1c1ccccc1
• InChI: InChI=1S/2C16H15N2.C15H9F2N2.C15H13N2.C12H12F3N2.C11H10N3.C11H13N2O.2C10H9F2N2.3C10H11N2.3C6H5NO2.3C5H8O2.11CH4.12Ir/c2*1-3-7-14(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;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-8-5-9(11-16-3-4-17(11)2)7-10(6-8)12(13,14)15;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;2*1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;3*1-12-8-7-11-10(12)9-5-3-2-4-6-9;3*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;;;;;;;;/h2*1-9H,11-13H2;1-6,8-10H;1-7,9-10H,11-12H2;5-6H,3-4H2,1-2H3;3,5,8H,6-7H2,2H3;3,5-6H,7-8H2,1-2H3;2*2,6H,4-5H2,1H3;3*2-5H,7-8H2,1H3;3*1-4H,(H,8,9);3*3,6H,1-2H3;11*1H4;;;;;;;;;;;;/q12*-1
• InChIKey: DSXCDARVXMQUFA-UHFFFAOYSA-N
• XLogP: 36.16
• TPSA: 465.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5582.63
LogP ≤ 5	36.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

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 bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)?

The IUPAC name of bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid) (CID 158086165) is bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid).

What is the SMILES notation for bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)?

The canonical SMILES for bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(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.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cccc1.CN1CCN=C1c1[c-]cccc1.CN1CCN=C1c1[c-]cccc1.COc1c[c-]c(C2=NCCN2C)cc1.Cc1cc(C2=NCCN2C)[c-]c(C(F)(F)F)c1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(C2=NCCN2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1=NCCN1Cc1ccccc1.[c-]1ccccc1C1=NCCN1Cc1ccccc1.[c-]1ccccc1C1=NCCN1c1ccccc1.

What is the InChIKey of bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)?

The InChIKey is DSXCDARVXMQUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N2.C15H9F2N2.C15H13N2.C12H12F3N2.C11H10N3.C11H13N2O.2C10H9F2N2.3C10H11N2.3C6H5NO2.3C5H8O2.11CH4.12Ir/c2*1-3-7-14(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;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-8-5-9(11-16-3-4-17(11)2)7-10(6-8)12(13,14)15;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;2*1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;3*1-12-8-7-11-10(12)9-5-3-2-4-6-9;3*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;;;;;;;;/h2*1-9H,11-13H2;1-6,8-10H;1-7,9-10H,11-12H2;5-6H,3-4H2,1-2H3;3,5,8H,6-7H2,2H3;3,5-6H,7-8H2,1-2H3;2*2,6H,4-5H2,1H3;3*2-5H,7-8H2,1H3;3*1-4H,(H,8,9);3*3,6H,1-2H3;11*1H4;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)?

bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid) has a molecular weight of 5582.63 g/mol, XLogP of 36.16, 25 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid) is sourced from PubChem (CID 158086165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).