1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole

C61H48F3Ir5N10-5 — CID 162190585

IUPAC1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole
SMILESCn1ccnc1-c1[c-]cc(F)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Cc1ccccc1
InChIInChI=1S/C16H13N2.C15H11N2.C10H7F2N2.C10H8FN2.C10H9N2.5Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h1-9,11-12H,13H2;1-7,9-12H;2,4-6H,1H3;2,4-7H,1H3;2-5,7-8H,1H3;;;;;/q5*-1;;;;;
InChIKeyNKMVUJHUDYSZHW-UHFFFAOYSA-N
MW1939.20 g/mol
LogP12.80
Rot. Bonds8

About 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole

1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole (PubChem CID 162190585) has the molecular formula C61H48F3Ir5N10-5 and a molecular weight of 1939.20 g/mol. Its IUPAC name is 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole.

Molecular Properties

Compound Name1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole
PubChem CID162190585
Molecular FormulaC61H48F3Ir5N10-5
Molecular Weight1939.20 g/mol
Exact Mass1942.22
IUPAC Name1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole
SMILESCn1ccnc1-c1[c-]cc(F)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Cc1ccccc1
InChIInChI=1S/C16H13N2.C15H11N2.C10H7F2N2.C10H8FN2.C10H9N2.5Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h1-9,11-12H,13H2;1-7,9-12H;2,4-6H,1H3;2,4-7H,1H3;2-5,7-8H,1H3;;;;;/q5*-1;;;;;
InChIKeyNKMVUJHUDYSZHW-UHFFFAOYSA-N
XLogP12.80
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001939.20
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole with MolForge

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Related Compounds

1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole
CID 160591361
1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;decakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole
CID 158219308
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
1-benzyl-2-phenyl-4,5-dihydroimidazole;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;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 160502731
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide
CID 158359208
4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-(2-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-2-id-1-yl)imidazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(4-phenylbenzene-6-id-1-yl)imidazole;pyridine-2-carboxylic acid
CID 160755975
1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[4-(3,5-diphenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 162032684
iridium(3+);tris(1-(4-methoxyphenyl)-2-phenylimidazole)
CID 59348298
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 157303526
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
1-benzyl-4-phenylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;hexakis(iridium);bis(1-methyl-4-phenylimidazole)
CID 158994781

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?
The IUPAC name of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole (CID 162190585) is 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole.
What is the SMILES notation for 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?
The canonical SMILES for 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole is Cn1ccnc1-c1[c-]cc(F)cc1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?
The InChIKey is NKMVUJHUDYSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.C15H11N2.C10H7F2N2.C10H8FN2.C10H9N2.5Ir/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-13-7-6-12-10(13)8-2-4-9(11)5-3-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h1-9,11-12H,13H2;1-7,9-12H;2,4-6H,1H3;2,4-7H,1H3;2-5,7-8H,1H3;;;;;/q5*-1;;;;;.
What are the key properties of 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole?
1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole has a molecular weight of 1939.20 g/mol, XLogP of 12.80, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylimidazole;pentakis(iridium);1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole is sourced from PubChem (CID 162190585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).