4-(benzimidazol-1-ylmethyl)benzonitrile

4-(benzimidazol-1-ylmethyl)benzonitrile bmse011048 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C15H11N3

Natural Isotopic Abundance Mass: 233.26793999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 233.095297367
  • C13N14: 248.14561993700008
  • C12N15: 236.08640204600002
  • C13N15: 251.1367246160001

InChI string: InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2

IUPAC: 4-(benzimidazol-1-ylmethyl)benzonitrile

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)