1-[(3R,4S)-1-(2,3-Dichlorophenyl)-4-Hydroxy-3-Pentanyl]-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C15H17Cl2N3O2
IUPAC Name 1-[(1r,2s)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxy-propyl]imidazole-4-carboxamide
Molecular Mass 342.220 g·mol−1
Heat of Formation -300.9 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 388.28 Å 3
Surface Area 336.43 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r,2s)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxy-propyl]imidazole-4-carboxamide
  • 1-[(1r,2s)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxypropyl]-4-imidazolecarboxamide
  • 1-[(3r,4s)-1-(2,3-dichlorophenyl)-4-hydroxy-pentan-3-yl]imidazole-4-carboxamide
  • 1-[(3r,4s)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
  • 1h-imidazole-4-carboxamide, 1-[(1r,2s)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxypropyl]-
InChIKey HCJYSIGJDKNVRU-TVQRCGJNSA-N
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Elements H C Cl O N