(3E)-4-Amino-5-Fluoro-3-[5-(4-Methyl-1-Piperazinyl)-1,3-Dihydro-2H-Benzimidazol-2-Ylidene]-2(3H)-Quinolinone

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Properties Simple | Detailed

Formula C21H21FN6O
IUPAC Name (3e)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)benzimidazole-1,3-diium-2-ylidene]quinolin-2-one
Molecular Mass 392.429 g·mol−1
Heat of Formation 76.0 ± 16.7 kJ·mol−1
Dipole Moment 12.55 ± 1.08 D
Volume 436.56 Å 3
Surface Area 386.03 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone
  • (3e)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril
  • (3e)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one
InChIKey KCOYQXZDFIIGCY-CZIZESTLSA-N
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