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

C85H76F10N15O10Pt5-5 — CID 157460312

IUPAC2-[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
SMILESCC(=O)C(C)=C(C)O.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.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Pt].[Pt].[Pt].[Pt].[Pt].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C13H10N3.C12H4F4N3.2C12H8N3.C10H4F6N3.C6H10O2.4C5H8O2.5Pt/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;2*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;1-4(5(2)7)6(3)8;4*1-4(6)3-5(2)7;;;;;/h2-8H,1H3;1-4H;2*1-8H;1-4H;7H,1-3H3;4*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyVCVYBGOZPCYMGN-UHFFFAOYSA-N
MW2633.01 g/mol
LogP18.58
Rot. Bonds10

About 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

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 (PubChem CID 157460312) has the molecular formula C85H76F10N15O10Pt5-5 and a molecular weight of 2633.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157460312
Molecular FormulaC85H76F10N15O10Pt5-5
Molecular Weight2633.01 g/mol
Exact Mass2631.40
IUPAC Name2-[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
SMILESCC(=O)C(C)=C(C)O.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.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Pt].[Pt].[Pt].[Pt].[Pt].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C13H10N3.C12H4F4N3.2C12H8N3.C10H4F6N3.C6H10O2.4C5H8O2.5Pt/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;2*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;1-4(5(2)7)6(3)8;4*1-4(6)3-5(2)7;;;;;/h2-8H,1H3;1-4H;2*1-8H;1-4H;7H,1-3H3;4*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyVCVYBGOZPCYMGN-UHFFFAOYSA-N
XLogP18.58
TPSA385.90 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002633.01
LogP ≤ 518.58
H-Bond Donors ≤ 55
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;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 with MolForge

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Related Compounds

CID 157110314
CID 157110314
CID 157186529
CID 157186529
CID 157436407
CID 157436407
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
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
CID 157755237
CID 157755237
Bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157780954
(8S)-8-[(S)-(3,4-difluorophenyl)-(4-methylphenyl)methyl]-13-hydroxy-3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one;(8S)-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-13-hydroxy-3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one;(8S)-8-[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]-13-hydroxy-3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one;(8S)-8-[(4-fluorophenyl)-(4-methylphenyl)methyl]-13-hydroxy-3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one;(8S)-8-[(R)-(4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]-13-hydroxy-3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one;(8S)-13-hydroxy-8-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3,6,9,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
CID 157838314
CID 157891894
CID 157891894
CID 157892525
CID 157892525

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C(C)=C(C)O.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.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Pt].[Pt].[Pt].[Pt].[Pt].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of 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?
The InChIKey is VCVYBGOZPCYMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3.C12H4F4N3.2C12H8N3.C10H4F6N3.C6H10O2.4C5H8O2.5Pt/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;2*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;1-4(5(2)7)6(3)8;4*1-4(6)3-5(2)7;;;;;/h2-8H,1H3;1-4H;2*1-8H;1-4H;7H,1-3H3;4*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2633.01 g/mol, XLogP of 18.58, 10 rotatable bonds, 5 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;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 is sourced from PubChem (CID 157460312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).