1-[2-Hydroxy-5-(Trifluoromethyl)Phenyl]-5-(Trifluoromethyl)-1,3-Dihydro-2H-Benzimidazol-2-One

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Properties Simple | Detailed

Formula C15H8F6N2O2
IUPAC Name 1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole-1,3-diium-2-one
Molecular Mass 362.227 g·mol−1
Heat of Formation -1425.1 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 352.49 Å 3
Surface Area 314.08 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dihydro-1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2h-benzimidazol-2-one
  • 1-(2'-hydroxy-5'-trifluoromethylphenyl)-5-trifluoromethyl-2(3h)-benzimidazolone
  • 2h-benzimidazol-2-one, 1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-
  • 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1h-benzimidazol-2-one
  • bcbcmap01_000241
  • bio2_000145
  • bio2_000625
  • ns 1619
  • ns-1619
CAS Number(s)
  • 153587-01-0
InChIKey YLFMCMWKHSDUCT-UHFFFAOYSA-N
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