(3E)-4-{[2-(4-Chloro-1H-Pyrazol-1-Yl)Ethyl]Amino}-3-{6-[1-(3-Fluoropropyl)-4-Piperidinyl]-4-Methyl-1,3-Dihydro-2H-Benzimidazol-2-Ylidene}-2(3H)-Pyridinone

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Properties Simple | Detailed

Formula C26H31ClFN7O
IUPAC Name (3e)-4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)-4-piperidyl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one
Molecular Mass 512.022 g·mol−1
Heat of Formation 41.1 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 597.79 Å 3
Surface Area 518.85 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-[2-(4-chloro-1-pyrazolyl)ethylamino]-3-[6-[1-(3-fluoropropyl)-4-piperidinyl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone
  • (3e)-4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)-4-piperidyl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridone
  • (3e)-4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)-4-piperidyl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one
  • (3e)-4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one
InChIKey KPIXLYXGTRJJMP-WJTDDFOZSA-N
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Elements C F H Cl O N