N-(1H-benzimidazol-2-ylmethyl)-2-methoxyacetamide

N-(1H-benzimidazol-2-ylmethyl)-2-methoxyacetamide bmse011227 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H13N3O2

Natural Isotopic Abundance Mass: 219.2398199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 219.100776671
  • C13N14: 230.13767988900005
  • C12N15: 222.09188135000002
  • C13N15: 233.12878456800007

InChI string: InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)

wwPDB CCD: LXA

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)