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CHEBI:41606 - 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE

Default Structure
ChEBI IDCHEBI:41606
ChEBI Name2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H23FN4O2
Net Charge0
Average Mass382.439
Monoisotopic Mass382.18050
SMILES[H]c1c([H])c(O[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])c([O-])c(-c2nc3c([H])c(C(N([H])[H])=[N+]([H])[H])c(F)c([H])c3n2[H])c1[H]
InChIInChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1
InChIKeyCMCDWLMEDRBWIR-GTNSWQLSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE (CHEBI:41606) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}phenolatePDBeChem
2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATEPDBeChem
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