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CHEBI:228536 - 2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole

ChEBI IDCHEBI:228536
ChEBI Name2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17F2N3
Net Charge0
Average Mass313.351
Monoisotopic Mass313.13905
SMILES[H][C@]1(c2nc3ccccc3n2)CCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H17F2N3/c19-14-6-5-12(9-15(14)20)10-23-8-7-13(11-23)18-21-16-3-1-2-4-17(16)22-18/h1-6,9,13H,7-8,10-11H2,(H,21,22)/t13-/m0/s1
InChIKeyKKEGEKFLGAEIIM-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole (CHEBI:228536) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
2-[(3S)-1-[(3,4-diluorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
Manual XrefsDatabases
29850050ChemSpider