4'-{[2-Butyl-4-Chloro-5-(Hydroxymethyl)-1H-Imidazol-1-Yl]Methyl}-2',6'-Dimethoxy-2-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C24H27ClN2O5
IUPAC Name 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-ium-2-ylium-1-yl]methyl]-2,6-dimethoxy-phenyl]benzoic acid
Molecular Mass 458.935 g·mol−1
Heat of Formation -714.0 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 536.16 Å 3
Surface Area 422.93 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.47 ± 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',6'-dimethoxy-
  • 2-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-2,6-dimethoxy-phenyl]benzoic acid
  • 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2,6-dimethoxyphenyl]benzoic acid
  • 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxy-phenyl]benzoic acid
  • 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxyphenyl]benzoic acid
  • 4'-((2-butyl-4-chloro-5-(hydroxymethyl)-1h-imidazolyl)methyl)-2',6'-dimethoxy(1,1'-biphenyl)-2-carboxylic acid
  • 4-bchibp
CAS Number(s)
  • 134388-43-5
InChIKey DCZWHMMYJIZMSO-UHFFFAOYSA-N
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