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CHEBI:41598 - 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE

Default Structure
ChEBI IDCHEBI:41598
ChEBI Name2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H12N4O
Net Charge0
Average Mass252.277
Monoisotopic Mass252.10111
SMILES[H]c1c([H])c([H])c(-c2nc3c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c([H])c3n2[H])c([O-])c1[H]
InChIInChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
InChIKeyURJKRCBBKTXOHS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE (CHEBI:41598) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATEPDBeChem
2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}phenolatePDBeChem
Manual XrefsDatabases
CR4PDBeChem