EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40261 - 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE

Default Structure
ChEBI IDCHEBI:40261
ChEBI Name2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H11FN4O
Net Charge0
Average Mass270.267
Monoisotopic Mass270.09169
SMILES[H]c1c([H])c(F)c([H])c(-c2nc3c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c([H])c3n2[H])c1[O-]
InChIInChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
InChIKeyJOGOACSSLJEREC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE (CHEBI:40261) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATEPDBeChem
2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorophenolatePDBeChem
Manual XrefsDatabases
802PDBeChem