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CHEBI:40239 - 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE

Default Structure
ChEBI IDCHEBI:40239
ChEBI Name2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H20N4O2
Net Charge0
Average Mass324.384
Monoisotopic Mass324.15863
SMILES[H]c1c([H])c(OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([O-])c(-c2nc3c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c([H])c3n2[H])c1[H]
InChIInChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
InChIKeyHSHVHNIOQTZSOQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE (CHEBI:40239) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolatePDBeChem
2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATEPDBeChem
Manual XrefsDatabases
656PDBeChem