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-methyl-5-(trifluoromethyl)-1H-imidazole

2-methyl-5-(trifluoromethyl)-1H-imidazole bmse012162 - Data

2-methyl-5-(trifluoromethyl)-1H-imidazole synonyms

Wikipedia:

Graphical representations:

2-methyl-5-(trifluoromethyl)-1H-imidazole

View large 3D structure

Molecular Formula: C5H5F3N2

Natural Isotopic Abundance Mass: 150.1018096

Mono-Isotopic Molecular Masses:

  • C12N14: 150.04048283
  • C13N14: 155.05725702
  • C12N15: 152.034552616
  • C13N15: 157.05132680600002

InChI string: InChI=1S/C5H5F3N2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H3,(H,9,10)

IUPAC: b'2-methyl-4-(trifluoromethyl)-3H-imidazole'

EU-OPENSCREEN: EOS102889

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)