(1-Benzyl-4-Chloro-2-Phenyl-1H-Imidazol-5-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C18H15ClN2O2
IUPAC Name 2-(3-benzyl-5-chloro-2-phenyl-imidazol-3-ium-4-ylium-4-yl)acetic acid
Molecular Mass 326.777 g·mol−1
Heat of Formation -88.0 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 375.71 Å 3
Surface Area 325.31 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 1-benzyl-4-chloro-2-phenylimidazole-5-acetic acid
  • 2-[3-(benzyl)-5-chloro-2-phenyl-imidazol-4-yl]acetic acid
  • 2-[5-chloro-2-phenyl-3-(phenylmethyl)-4-imidazolyl]acetic acid
  • 2-[5-chloro-2-phenyl-3-(phenylmethyl)imidazol-4-yl]acetic acid
  • 2-[5-chloro-2-phenyl-3-(phenylmethyl)imidazol-4-yl]ethanoic acid
  • cv 2198
  • cv-2198
CAS Number(s)
  • 74207-77-5
InChIKey OZRLINSKTFKPDY-UHFFFAOYSA-N
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Elements H C N O Cl