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

C154H138F8Ir10N24O11-10 — CID 160826830

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

1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) (PubChem CID 160826830) has the molecular formula C154H138F8Ir10N24O11-10 and a molecular weight of 4575.11 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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid).

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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)
• PubChem CID: 160826830
• Molecular Formula: C154H138F8Ir10N24O11-10
• Molecular Weight: 4575.11 g/mol
• Exact Mass: 4580.72
• IUPAC Name: 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cccc1.COc1c[c-]c(-c2nccn2C)cc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(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].[c-]1ccccc1C1=NCCN1Cc1ccccc1
• InChI: InChI=1S/C18H17N2.C16H15N2.2C15H9F2N2.C11H10N3.C11H11N2O.C10H9F2N2.C10H7F2N2.C10H11N2.C10H9N2.3C6H5NO2.2C5H8O2.10Ir/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;2*16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;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;2*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;2*1-4(6)3-5(2)7;;;;;;;;;;/h4-7,9-12H,1-3H3;1-9H,11-13H2;2*1-6,8-10H;3,5,8H,6-7H2,2H3;3,5-8H,1-2H3;2,6H,4-5H2,1H3;2,4-6H,1H3;2-5H,7-8H2,1H3;2-5,7-8H,1H3;3*1-4H,(H,8,9);2*3,6H,1-2H3;;;;;;;;;;/q10*-1
• InChIKey: QNBDVXRBTIQGEL-UHFFFAOYSA-N
• XLogP: 28.95
• TPSA: 408.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4575.11
LogP ≤ 5	28.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)?

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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) (CID 160826830) is 1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid).

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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)?

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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN1CCN=C1c1[c-]cc(F)cc1F.CN1CCN=C1c1[c-]cccc1.COc1c[c-]c(-c2nccn2C)cc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(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].[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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)?

The InChIKey is QNBDVXRBTIQGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.C16H15N2.2C15H9F2N2.C11H10N3.C11H11N2O.C10H9F2N2.C10H7F2N2.C10H11N2.C10H9N2.3C6H5NO2.2C5H8O2.10Ir/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;2*16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;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;2*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;2*1-4(6)3-5(2)7;;;;;;;;;;/h4-7,9-12H,1-3H3;1-9H,11-13H2;2*1-6,8-10H;3,5,8H,6-7H2,2H3;3,5-8H,1-2H3;2,6H,4-5H2,1H3;2,4-6H,1H3;2-5H,7-8H2,1H3;2-5,7-8H,1H3;3*1-4H,(H,8,9);2*3,6H,1-2H3;;;;;;;;;;/q10*-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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)?

1-benzyl-2-phenyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) has a molecular weight of 4575.11 g/mol, XLogP of 28.95, 21 rotatable bonds, 5 hydrogen bond donors, and 31 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-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole);bis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenyl-4,5-dihydroimidazole;1-methyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) is sourced from PubChem (CID 160826830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).