6-[Amino(Iminio)Methyl]-2-({6-[Amino(Iminio)Methyl]-1H-Benzimidazol-2-Yl}Methyl)-1H-Benzimidazol-3-Ium

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Properties Simple | Detailed

Formula C17H19N8+++
IUPAC Name [amino-[2-[[6-(amino-azaniumylidenemethyl)-1h-benzimidazol-2-yl]methyl]-3h-benzimidazol-1-ium-5-yl]methylidene]azanium
Molecular Mass 335.386 g·mol−1
Heat of Formation 2281.4 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 260.95 Å 3
Surface Area 262.21 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -2.94 ± eV
Point Group Symmetry C1
Synonyms
  • [amino-[2-[[6-(amino-azaniumylidene-methyl)-1h-benzimidazol-2-yl]methyl]-3h-benzimidazol-1-ium-5-yl]methylene]ammonium
  • [amino-[2-[[6-(amino-azaniumylidene-methyl)-1h-benzimidazol-2-yl]methyl]-3h-benzimidazol-1-ium-5-yl]methylidene]azanium
  • [amino-[2-[[6-(amino-iminio-methyl)-1h-benzimidazol-2-yl]methyl]-3h-benzimidazol-1-ium-5-yl]methylene]ammonium
  • [amino-[2-[[6-(amino-iminiomethyl)-1h-benzimidazol-2-yl]methyl]-3h-benzimidazol-1-ium-5-yl]methylene]ammonium
  • bab
  • bis(5-amidino-benzimidazolyl)methane
InChIKey QZKOOEFIMWKZPK-UHFFFAOYSA-Q
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