Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

38E

Summary
Name:(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
Formula:C12 H10 F2 N2 O2
Formal charge:0
Formula weight:252.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
OpenEye OEToolkits1.9.2(5Z)-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2,3-dimethyl-imidazol-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C(\N=C(N1C)C)=C\c2cc(F)c(O)c(F)c2
InChIInChI1.03InChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3/b10-5-
InChIKeyInChI1.03ZDDIJYXDUBFLID-YHYXMXQVSA-N
SMILES_CANONICALCACTVS3.385CN1C(=NC(=C/c2cc(F)c(O)c(F)c2)\C1=O)C
SMILESCACTVS3.385CN1C(=NC(=Cc2cc(F)c(O)c(F)c2)C1=O)C
SMILES_CANONICALOpenEye OEToolkits1.9.2CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C
SMILESOpenEye OEToolkits1.9.2CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1C

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon