2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide

C87H76F10Ir4N17O8Os-4 — CID 159524173

IUPAC2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(-c2nc3ccccc3[n-]2)c1.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Ir].[Ir].[Ir].[Ir].[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C13H10N3.C12H4F4N3.C12H8N3.C10H4F6N3.C10H10N3.C10H8N2.4C5H8O2.4Ir.Os/c1-9-6-7-14-12(8-9)13-15-10-4-2-3-5-11(10)16-13;13-6-7(14)9(16)11-10(8(6)15)18-12(19-11)5-3-1-2-4-17-5;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-4(6)3-5(2)7;;;;;/h2-8H,1H3;1-4H;1-8H;1-4H;3-6H,1-2H3;1-8H;4*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;+1
InChIKeyVULMTVWZJFUOTN-UHFFFAOYSA-N
MW2636.75 g/mol
LogP18.76
Rot. Bonds10

About 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide

2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide (PubChem CID 159524173) has the molecular formula C87H76F10Ir4N17O8Os-4 and a molecular weight of 2636.75 g/mol. Its IUPAC name is 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide.

Molecular Properties

Compound Name2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide
PubChem CID159524173
Molecular FormulaC87H76F10Ir4N17O8Os-4
Molecular Weight2636.75 g/mol
Exact Mass2640.41
IUPAC Name2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(-c2nc3ccccc3[n-]2)c1.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Ir].[Ir].[Ir].[Ir].[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C13H10N3.C12H4F4N3.C12H8N3.C10H4F6N3.C10H10N3.C10H8N2.4C5H8O2.4Ir.Os/c1-9-6-7-14-12(8-9)13-15-10-4-2-3-5-11(10)16-13;13-6-7(14)9(16)11-10(8(6)15)18-12(19-11)5-3-1-2-4-17-5;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-4(6)3-5(2)7;;;;;/h2-8H,1H3;1-4H;1-8H;1-4H;3-6H,1-2H3;1-8H;4*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;+1
InChIKeyVULMTVWZJFUOTN-UHFFFAOYSA-N
XLogP18.76
TPSA374.38 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002636.75
LogP ≤ 518.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide with MolForge

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Related Compounds

CID 157110314
CID 157110314
CID 157186529
CID 157186529
1-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);1-phenylisoquinoline;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylquinoline
CID 157210358
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(5-methylimidazol-3-id-4-yl)pyridine;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;1-pyridin-2-ylethyl-(2,2,2-trifluoroacetyl)azanide;tris(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157221977
CID 157436407
CID 157436407
2-[4,5-Bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;4-hydroxy-3-methylpent-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;platinum;bis(2-pyridin-2-ylbenzimidazol-1-ide);4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide
CID 157460312
4-hydroxypent-3-en-2-one;pentakis(iridium);3-(3H-naphthalen-3-id-2-yl)imidazo[1,5-a]pyridine;3-phenylimidazo[5,1-a]isoquinoline;bis(3-phenylimidazo[1,5-a]pyridine);3-[3-(trifluoromethyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine
CID 157469702
CID 157485712
CID 157485712
7,7-dimethyl-1,11-dihydrobenzo[a]phenalene-1,11-diide;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;5-methyl-2-phenylpyridine;5-naphthalen-1-yl-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-phenylisoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-naphthalen-1-ide
CID 157500456
Bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157507793
Bis(1-[(2,4-difluorophenyl)methyl]-3-methylbenzimidazol-3-ium);iridium(3+);pentakis(5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazole-3-carboxylate)
CID 157618373
CID 157666053
CID 157666053

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide?
The IUPAC name of 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide (CID 159524173) is 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide.
What is the SMILES notation for 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide?
The canonical SMILES for 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide 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.Cc1ccnc(-c2nc3ccccc3[n-]2)c1.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Ir].[Ir].[Ir].[Ir].[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide?
The InChIKey is VULMTVWZJFUOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3.C12H4F4N3.C12H8N3.C10H4F6N3.C10H10N3.C10H8N2.4C5H8O2.4Ir.Os/c1-9-6-7-14-12(8-9)13-15-10-4-2-3-5-11(10)16-13;13-6-7(14)9(16)11-10(8(6)15)18-12(19-11)5-3-1-2-4-17-5;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-4(6)3-5(2)7;;;;;/h2-8H,1H3;1-4H;1-8H;1-4H;3-6H,1-2H3;1-8H;4*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;+1.
What are the key properties of 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide?
2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide has a molecular weight of 2636.75 g/mol, XLogP of 18.76, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;osmium(1+);2-pyridin-2-ylbenzimidazol-1-ide;2-pyridin-2-ylpyridine;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide is sourced from PubChem (CID 159524173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).