BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

2-[(1H-benzimidazol-2-ylamino)methyl]phenol

2-[(1H-benzimidazol-2-ylamino)methyl]phenol bmse011372 - Data bmse012412 - Data

2-[(1H-benzimidazol-2-ylamino)methyl]phenol synonyms

Wikipedia:

Graphical representations:

2-[(1H-benzimidazol-2-ylamino)methyl]phenol

View large 3D structure

Molecular Formula: C14H13N3O

Natural Isotopic Abundance Mass: 239.2725199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 239.105862051
  • C13N14: 253.15282978300007
  • C12N15: 242.09696673000002
  • C13N15: 256.1439344620001

InChI string: InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)

BMRB Ligand Expo: T1J
EU-OPENSCREEN: EOS103165

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)