{1-Benzyl-5-[(3,5-Dichlorophenyl)Sulfanyl]-4-Isopropyl-1H-Imidazol-2-Yl}Methyl Carbamate

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Properties Simple | Detailed

Formula C21H21Cl2N3O2S
IUPAC Name [1-benzyl-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-1-ium-5-ylium-2-yl]methyl carbamate
Molecular Mass 450.381 g·mol−1
Heat of Formation -186.8 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 511.34 Å 3
Surface Area 407.14 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1-benzyl-2-carbamoyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1h-imidazole
  • [5-(3,5-dichlorophenyl)sulfanyl-1-(phenylmethyl)-4-propan-2-yl-imidazol-2-yl]methyl carbamate
  • [5-(3,5-dichlorophenyl)sulfanyl-1-(phenylmethyl)-4-propan-2-ylimidazol-2-yl]methyl carbamate
  • [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(phenylmethyl)imidazol-2-yl]methyl carbamate
  • carbamic acid [1-(benzyl)-5-[(3,5-dichlorophenyl)thio]-4-isopropyl-imidazol-2-yl]methyl ester
  • carbamic acid [5-[(3,5-dichlorophenyl)thio]-4-isopropyl-1-(phenylmethyl)-2-imidazolyl]methyl ester
CAS Number(s)
  • 178979-35-6
InChIKey PRTJAMWYDDFJSL-UHFFFAOYSA-N
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