Selumetinib

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Properties Simple | Detailed

Formula C17H15BrClFN4O3
IUPAC Name 6-(4-bromo-2-chloro-anilino)-7-fluoro-n-(2-hydroxyethoxy)-3-methyl-benzimidazole-5-carboxamide
Molecular Mass 457.681 g·mol−1
Heat of Formation -244.2 ± 16.7 kJ·mol−1
Dipole Moment 8.73 ± 1.08 D
Volume 444.93 Å 3
Surface Area 396.56 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(4-bromo-2-chloro-phenyl)amino]-7-fluoro-n-(2-hydroxyethoxy)-3-methyl-benzimidazole-5-carboxamide
  • 6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-n-(2-hydroxyethoxy)-3-methyl-5-benzimidazolecarboxamide
  • 6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-n-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
  • arry-142886
  • arry-886
  • azd-6244
InChIKey CYOHGALHFOKKQC-UHFFFAOYSA-N
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Elements C F H Cl O N Br