2-(4'-Carbamimidoyl-4-Biphenylyl)-1H-Benzimidazole-6-Carboximidamide

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Properties Simple | Detailed

Formula C21H18N6
IUPAC Name 2-[4-(4-carbamimidoylphenyl)phenyl]benzimidazol-3-ium-5-carboxamidine
Molecular Mass 354.408 g·mol−1
Heat of Formation 558.9 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 421.04 Å 3
Surface Area 386.84 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4'-amidinobiphenyl-4-yl)-1h-benzimidazole-5-amidine
  • 2-[4-(4-amidinophenyl)phenyl]-3h-benzimidazole-5-carboxamidine
  • 2-[4-(4-carbamimidoylphenyl)phenyl]-3h-benzimidazole-5-carboxamidine
  • 2-[4-(4-carbamimidoylphenyl)phenyl]-3h-benzimidazole-5-carboximidamide
  • db921
InChIKey MIMVUHYHAXPADM-UHFFFAOYSA-N
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Elements H C N