1-(2,4-Dichlorobenzyl)-2-Methyl-N-(Pentylsulfonyl)-1H-Benzimidazole-6-Carboxamide

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Properties Simple | Detailed

Formula C21H23Cl2N3O3S
IUPAC Name 3-[(2,4-dichlorophenyl)methyl]-2-methyl-n-pentylsulfonyl-benzimidazol-3-ium-5-carboxamide
Molecular Mass 468.397 g·mol−1
Heat of Formation -418.2 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 519.79 Å 3
Surface Area 457.19 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2,4-dichlorophenyl)methyl]-2-methyl-n-pentylsulfonyl-5-benzimidazolecarboxamide
  • 3-[(2,4-dichlorophenyl)methyl]-2-methyl-n-pentylsulfonyl-benzimidazole-5-carboxamide
  • 3-[(2,4-dichlorophenyl)methyl]-2-methyl-n-pentylsulfonylbenzimidazole-5-carboxamide
  • n-amylsulfonyl-3-(2,4-dichlorobenzyl)-2-methyl-benzimidazole-5-carboxamide
InChIKey UYGZODVVDUIDDQ-UHFFFAOYSA-N
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