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CHEBI:40289 - 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE

Default Structure
ChEBI IDCHEBI:40289
ChEBI Name2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC15H11F3N4O2
Net Charge0
Average Mass336.273
Monoisotopic Mass336.08341
SMILES[H]c1c([H])c(OC(F)(F)F)c([H])c(-c2nc3c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c([H])c3n2[H])c1[O-]
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22)
InChIKeyPJUALJXOBAXGBO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE (CHEBI:40289) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATEPDBeChem
2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolatePDBeChem
Manual XrefsDatabases
785PDBeChem