bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)

C176H187F6Ir12N27O13-12 — CID 158054941

About bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)

bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid) (PubChem CID 158054941) has the molecular formula C176H187F6Ir12N27O13-12 and a molecular weight of 5309.20 g/mol. Its IUPAC name is bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)
• PubChem CID: 158054941
• Molecular Formula: C176H187F6Ir12N27O13-12
• Molecular Weight: 5309.20 g/mol
• Exact Mass: 5316.03
• IUPAC Name: bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)
• 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.CN1CCN=C1c1[c-]cc(F)cc1F.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.Cc1[c-]c(C2=NCCN2C)cc(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.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
• InChI: InChI=1S/C18H17N2.2C16H15N2.C12H15N2.C11H10N3.C11H13N2O.3C10H9F2N2.3C10H11N2.2C6H5NO2.4C5H8O2.12Ir/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;2*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;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;3*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;2*8-6(9)5-3-1-2-4-7-5;4*1-4(6)3-5(2)7;;;;;;;;;;;;/h4-7,9-12H,1-3H3;2*1-9H,11-13H2;6-7H,4-5H2,1-3H3;3,5,8H,6-7H2,2H3;3,5-6H,7-8H2,1-2H3;3*2,6H,4-5H2,1H3;3*2-5H,7-8H2,1H3;2*1-4H,(H,8,9);4*3,6H,1-2H3;;;;;;;;;;;;/q12*-1
• InChIKey: SBDXXXPJARSAKD-UHFFFAOYSA-N
• XLogP: 28.06
• TPSA: 452.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5309.20
LogP ≤ 5	28.06
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);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)?

The IUPAC name of bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid) (CID 158054941) is bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid) 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.CN1CCN=C1c1[c-]cc(F)cc1F.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.Cc1[c-]c(C2=NCCN2C)cc(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.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.

What is the InChIKey of bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)?

The InChIKey is SBDXXXPJARSAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.2C16H15N2.C12H15N2.C11H10N3.C11H13N2O.3C10H9F2N2.3C10H11N2.2C6H5NO2.4C5H8O2.12Ir/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;2*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;1-13-8-7-12-11(13)9-3-5-10(14-2)6-4-9;3*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;2*8-6(9)5-3-1-2-4-7-5;4*1-4(6)3-5(2)7;;;;;;;;;;;;/h4-7,9-12H,1-3H3;2*1-9H,11-13H2;6-7H,4-5H2,1-3H3;3,5,8H,6-7H2,2H3;3,5-6H,7-8H2,1-2H3;3*2,6H,4-5H2,1H3;3*2-5H,7-8H2,1H3;2*1-4H,(H,8,9);4*3,6H,1-2H3;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;;.

What are the key properties of bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid)?

bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid) has a molecular weight of 5309.20 g/mol, XLogP of 28.06, 24 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);tris(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;tetrakis(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 158054941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).