4'-{[2-Butyl-4-Chloro-5-(Hydroxymethyl)-1H-Imidazol-1-Yl]Methyl}-2-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C22H23ClN2O3
IUPAC Name 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-ium-2-ylium-1-yl]methyl]phenyl]benzoic acid
Molecular Mass 398.883 g·mol−1
Heat of Formation -371.2 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 467.37 Å 3
Surface Area 392.62 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-2-carboxylic acid, 4'-((2-butyl-4-chloro-5-(hydroxymethyl)-1h-imidazol-1-yl)methyl)-
  • 2-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid
  • 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid
  • 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
  • 4'-((2-butyl-4-chloro-5-(hydroxymethyl)-1h-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
  • 4'-imi
  • exp 7711
  • exp7711
CAS Number(s)
  • 114798-27-5
InChIKey UUPNFNCKGJOLQE-UHFFFAOYSA-N
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Elements H C N O Cl