Methyl {5-[4-({[2-Fluoro-5-(Trifluoromethyl)Phenyl]Carbamoyl}Amino)Phenoxy]-1H-Benzimidazol-2-Yl}Carbamate

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Properties Simple | Detailed

Formula C23H17F4N5O4
IUPAC Name methyl n-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1h-benzimidazol-2-yl]carbamate
Molecular Mass 503.406 g·mol−1
Heat of Formation -1088.8 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 515.32 Å 3
Surface Area 475.6 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • gig
  • methyl n-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1h-benzimidazol-2-yl]carbamate
  • n-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1h-benzimidazol-2-yl]carbamic acid methyl ester
  • n-[6-[4-[[[[2-fluoro-5-(trifluoromethyl)phenyl]amino]-oxomethyl]amino]phenoxy]-1h-benzimidazol-2-yl]carbamic acid methyl ester
InChIKey KADQEUOYNAPXRD-UHFFFAOYSA-N
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