3-{[2-(1H-Benzimidazol-1-Yl)-6-{[2-(Diethylamino)Ethyl]Amino}-4-Pyrimidinyl]Amino}-4-Methylphenol

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Properties Simple | Detailed

Formula C24H29N7O
IUPAC Name 3-[[2-(benzimidazol-1-ium-1-yl)-6-[2-(diethylamino)ethylamino]pyrimidin-4-yl]amino]-4-methyl-phenol
Molecular Mass 431.533 g·mol−1
Heat of Formation 225.8 ± 16.7 kJ·mol−1
Dipole Moment 8.16 ± 1.08 D
Volume 532.72 Å 3
Surface Area 468.27 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1bm
  • 3-[[2-(1-benzimidazolyl)-6-(2-diethylaminoethylamino)-4-pyrimidinyl]amino]-4-methylphenol
  • 3-[[2-(benzimidazol-1-yl)-6-(2-diethylaminoethylamino)pyrimidin-4-yl]amino]-4-methyl-phenol
  • 3-[[2-(benzimidazol-1-yl)-6-(2-diethylaminoethylamino)pyrimidin-4-yl]amino]-4-methylphenol
  • 3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol
InChIKey OAILDJYOGMMAOQ-UHFFFAOYSA-N
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