6-(1H-Benzimidazol-1-Yl)-N-{5-[3-(Dimethylamino)Propoxy]-2-Pyridinyl}-4-Pyrimidinamine

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Properties Simple | Detailed

Formula C21H23N7O
IUPAC Name 6-(benzimidazol-1-ium-3-id-1-yl)-n-[5-[3-(dimethylamino)propoxy]-2-pyridyl]pyrimidin-4-amine
Molecular Mass 389.454 g·mol−1
Heat of Formation 382.0 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 465.51 Å 3
Surface Area 427.33 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey VKUXBRRQHBTQPW-UHFFFAOYSA-N
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