4-[2-(4-{[1-(4-Fluorobenzyl)-1H-Benzimidazol-2-Yl]Amino}Piperidin-1-Yl)Ethyl]Phenol

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Properties Simple | Detailed

Formula C27H29FN4O
IUPAC Name 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-1-piperidyl]ethyl]phenol
Molecular Mass 444.544 g·mol−1
Heat of Formation -13.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 540.53 Å 3
Surface Area 424.55 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]amino]-1-piperidyl]ethyl]phenol
  • 4-[2-[4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-piperidinyl]ethyl]phenol
  • 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-1-piperidyl]ethyl]phenol
  • 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenol
  • demethylastemizole
  • desmethylastemizole
  • phenol, 4-(2-(4-((1-((4-fluorophenyl)methyl)-1h-benzimidazol-2-yl)amino)-1-piperidinyl)ethyl)-
  • r 44 271
  • r-44-271
CAS Number(s)
  • 73736-50-2
InChIKey LAGYWHSFHIMTPE-UHFFFAOYSA-N
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