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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)

C150H129F11Ir10N24O8-10 — CID 159039308

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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) (PubChem CID 159039308) has the molecular formula C150H129F11Ir10N24O8-10 and a molecular weight of 4526.99 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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)
• PubChem CID: 159039308
• Molecular Formula: C150H129F11Ir10N24O8-10
• Molecular Weight: 4526.99 g/mol
• Exact Mass: 4532.66
• 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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)
• SMILES: CC(=O)C=C(C)O.CN1CCN=C1c1[c-]cc(F)cc1F.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C2=NCCN2C)[c-]c(C(F)(F)F)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.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.C12H12F3N2.C11H10N3.C10H9F2N2.C10H7F2N2.2C10H9N2.3C6H5NO2.C5H8O2.10Ir/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;1-8-5-9(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;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;1-4(6)3-5(2)7;;;;;;;;;;/h4-7,9-12H,1-3H3;1-9H,11-13H2;2*1-6,8-10H;5-6H,3-4H2,1-2H3;3,5,8H,6-7H2,2H3;2,6H,4-5H2,1H3;2,4-6H,1H3;2*2-5,7-8H,1H3;3*1-4H,(H,8,9);3,6H,1-2H3;;;;;;;;;;/q10*-1
• InChIKey: PDTFIFKPRIPBOP-UHFFFAOYSA-N
• XLogP: 29.23
• TPSA: 361.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4526.99
LogP ≤ 5	29.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) (CID 159039308) 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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) is CC(=O)C=C(C)O.CN1CCN=C1c1[c-]cc(F)cc1F.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C2=NCCN2C)[c-]c(C(F)(F)F)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid)?

The InChIKey is PDTFIFKPRIPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.C16H15N2.2C15H9F2N2.C12H12F3N2.C11H10N3.C10H9F2N2.C10H7F2N2.2C10H9N2.3C6H5NO2.C5H8O2.10Ir/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;1-8-5-9(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;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;1-4(6)3-5(2)7;;;;;;;;;;/h4-7,9-12H,1-3H3;1-9H,11-13H2;2*1-6,8-10H;5-6H,3-4H2,1-2H3;3,5,8H,6-7H2,2H3;2,6H,4-5H2,1H3;2,4-6H,1H3;2*2-5,7-8H,1H3;3*1-4H,(H,8,9);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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) has a molecular weight of 4526.99 g/mol, XLogP of 29.23, 19 rotatable bonds, 4 hydrogen bond donors, and 28 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);4-hydroxypent-3-en-2-one;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;bis(1-methyl-2-phenylimidazole);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).