4-({1-Methyl-5-[(Phenylsulfonyl)Amino]-1H-Benzimidazol-2-Yl}Methyl)Benzenecarboximidamide

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Properties Simple | Detailed

Formula C22H21N5O2S
IUPAC Name 4-[[5-(benzenesulfonamido)-1-methyl-benzimidazol-2-yl]methyl]benzamidine
Molecular Mass 419.499 g·mol−1
Heat of Formation 136.7 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 485.75 Å 3
Surface Area 414.62 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine
  • 4-[[1-methyl-5-(phenylsulfonylamino)-2-benzimidazolyl]methyl]benzamidine
  • 4-[[1-methyl-5-(phenylsulfonylamino)benzimidazol-2-yl]methyl]benzamidine
  • 4-[[1-methyl-5-(phenylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
InChIKey MEUAVGJWGDPTLF-UHFFFAOYSA-N
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