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Home> Hot Product Listed Z   > ZINC16385114
786612-39-3 structure

ZINC16385114

Iupac Name:2-[4-(4-methylimidazol-1-yl)phenoxy]ethanol
CAS No.:786612-39-3
Molecular Weight:218.256
Molecular Formula:C25H30N4O5 (isomer)
Names and Identifiers
Synonyms

8-methyl-2-{[methyl({[2-(piperidin-1-yl)phenyl]methyl})amino]methyl}-4h-pyrido[1,2-a]pyrimidin-4-one 8-methyl-2-{[methyl({[2-(piperidin-1-yl)phenyl]methyl})amino]methyl}pyrido[1,2-a]pyrimidin-4-one MCULE-8219549576 MOLPORT-005-693-580 T6259854 Z126462548

Inchi
InChI=1S/C12H14N2O2/c1-10-8-14(9-13-10)11-2-4-12(5-3-11)16-7-6-15/h2-5,8-9,15H,6-7H2,1H3
InChkey
GKBJHWHQTLFGGA-UHFFFAOYSA-N
Canonical Smiles
CC1=CN(C=N1)C2=CC=C(C=C2)OCCO
Computational chemical data
  • Molecular Weight:218.256g/mol
  • Molecular Formula:C25H30N4O5
  • Compound Is Canonicalized:True
  • Exact Mass:218.106
  • Monoisotopic Mass:218.106
  • Complexity:205
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:47.3A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAACAAACAzhlgY/1pcMFgCg ATRnZACCiC0xMqAJ2AA+fIiNfmLEuZuWOCjswBPL6CewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAA AA==
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