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CHEBI:228549 - 1-Methyl-2-[(3S)-1-(3-phenylpropyl)-3-pyrrolidinyl]-1H-benzimidazole

ChEBI IDCHEBI:228549
ChEBI Name1-Methyl-2-[(3S)-1-(3-phenylpropyl)-3-pyrrolidinyl]-1H-benzimidazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3
Net Charge0
Average Mass319.452
Monoisotopic Mass319.20485
SMILES[H][C@]1(c2nc3ccccc3n2C)CCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H25N3/c1-23-20-12-6-5-11-19(20)22-21(23)18-13-15-24(16-18)14-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/t18-/m0/s1
InChIKeyYEHHVSPRHHRKMP-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-Methyl-2-[(3S)-1-(3-phenylpropyl)-3-pyrrolidinyl]-1H-benzimidazole (CHEBI:228549) is a amine (CHEBI:32952)
IUPAC Name 
1-methyl-2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzimidazole
Manual XrefsDatabases
29850816ChemSpider