3-[(2E)-3-(1H-Benzimidazol-2-Yl)-2-Propenoyl]-6-Chloro-4-Phenyl-2(1H)-Quinolinone

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Properties Simple | Detailed

Formula C25H16ClN3O2+
IUPAC Name 3-[(e)-3-(benzimidazol-1-ium-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-quinolin-2-one
Molecular Mass 425.866 g·mol−1
Heat of Formation 177.2 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 481.32 Å 3
Surface Area 410.33 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(e)-3-(1h-benzimidazol-2-yl)-1-oxoprop-2-enyl]-6-chloro-4-phenyl-1h-quinolin-2-one
  • 3-[(e)-3-(1h-benzimidazol-2-yl)acryloyl]-6-chloro-4-phenyl-carbostyril
  • 3-[3-(1h-benzimidazol-2-yl)-1-oxoprop-2-enyl]-6-chloro-4-phenyl-1h-quinolin-2-one
  • 3-[3-(1h-benzimidazol-2-yl)acryloyl]-6-chloro-4-phenyl-carbostyril
  • 3-[3-(1h-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1h-quinolin-2-one
  • bim-0034205.p001
  • cbmicro_034066
  • compound 2
InChIKey SBOKKVUBLNZTCT-OUKQBFOZSA-N
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Elements H C N O Cl