4-Chloro-2-Propyl-1-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-1H-Imidazole-5-Carbaldehyde

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Properties Simple | Detailed

Formula C21H19ClN6O
IUPAC Name 5-chloro-2-propyl-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
Molecular Mass 406.868 g·mol−1
Heat of Formation 461.0 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 487.12 Å 3
Surface Area 387.84 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-5-carboxaldehyde, 4-chloro-2-propyl-1-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
  • 2-n-propyl-4-chloro-1-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)imidazole-5-carboxylaldehyde
  • 5-chloro-2-propyl-3-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]imidazole-4-carbaldehyde
  • 5-chloro-2-propyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
  • 5-chloro-2-propyl-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolecarboxaldehyde
  • exp 3312
  • exp3312
CAS Number(s)
  • 114798-35-5
InChIKey IMVDZFOSXJSXFP-UHFFFAOYSA-N
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