2ZY

(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one

Created:	2014-05-06
Last modified:	2014-06-18

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7 entries where 2ZY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of 2ZY

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Chemical Component Summary
Name	(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one
Systematic Name (OpenEye OEToolkits)	(5Z)-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-methyl-3-[2,2,2-tris(fluoranyl)ethyl]imidazol-4-one
Formula	C₁₃ H₉ F₅ N₂ O₂
Molecular Weight	320.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(\N=C(N1CC(F)(F)F)C)=C\c2cc(F)c(O)c(F)c2
SMILES	CACTVS	3.385	CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1CC(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC(F)(F)F
Canonical SMILES	CACTVS	3.385	CC1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1CC(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F
InChI	InChI	1.03	InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-
InChIKey	InChI	1.03	AWYCLBWNRONMQC-WMZJFQQLSA-N

Related Resource References

Resource Name	Reference
PubChem	101889712

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.