EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228692 - 5-ethoxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-benzo[d]imidazole

ChEBI IDCHEBI:228692
ChEBI Name5-ethoxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-benzo[d]imidazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H11F5N2OS
Net Charge0
Average Mass374.334
Monoisotopic Mass374.05123
SMILESCCOc1ccc2nc(SCc3c(F)c(F)c(F)c(F)c3F)nc2c1
InChIInChI=1S/C16H11F5N2OS/c1-2-24-7-3-4-9-10(5-7)23-16(22-9)25-6-8-11(17)13(19)15(21)14(20)12(8)18/h3-5H,2,6H2,1H3,(H,22,23)
InChIKeyRJIZHIISDWEBJV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5-ethoxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-benzo[d]imidazole (CHEBI:228692) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
6-ethoxy-2-[(2,3,4,5,6-pentaluorophenyl)methylsulanyl]-1H-benzimidazole
Manual XrefsDatabases
1548166ChemSpider