6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide

  • Description:
  • Formula: C17H15BrF2N4O3
  • Molar mass: 441.2 g mol-1
  • InChI Key: ACWZRVQXLIRSDF-UHFFFAOYSA-N
6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide

Identifiers (24)

  • Standard InChI: InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) (Source: PubChem)
  • PubChem CID: 10288191 (Source: PubChem)
  • CAS Registry Number: 606143-89-9 (Source: PubChem)
  • Connectivity SMILES string: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO (Source: PubChem)
  • SMILES String: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO (Source: PubChem)
  • IUPAC Name: 6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide (Source: PubChem)
  • Standard InChIKey: ACWZRVQXLIRSDF-UHFFFAOYSA-N (Source: PubChem)
  • ChEBI ID: CHEBI:145371 (Source: PubChem)
  • ChEMBL ID: CHEMBL3187723 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID90131913 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID70209422 (Source: PubChem)
  • Wikidata ID: Q19903515 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EE03 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Binimetinib (Source: ChEMBL)
  • British National Formulary: Binimetinib (Source: ChEMBL)
  • Connectivity SMILES string: Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21 (Source: ChEMBL)
  • European Medicines Agency Name: Binimetinib (Source: ChEMBL)
  • International Nonproprietary Name: Binimetinib (Source: ChEMBL)
  • Japanese Adopted Name: Binimetinib (Source: ChEMBL)
  • Merck Index Name: Binimetinib (Source: ChEMBL)
  • Preferred Name: BINIMETINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) (Source: ChEMBL)
  • Standard InChIKey: ACWZRVQXLIRSDF-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Binimetinib (Source: ChEMBL)

    • Sources: PubChem (12) ChEMBL (12)

    Data (31)

  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 440.02956 Da (Source: PubChem)
  • Molecule statistics: 27 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 521 (Source: PubChem)
  • Stuctural analysis: 287.1 (Source: PubChem)
  • Mass parameters: 441.2 g/mol (Source: PubChem)
  • Mass parameters: 440.02956 Da (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Surface parameters: 88.4 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 3.01 (Source: ChEMBL)
  • Molecule statistics: 27 (Source: ChEMBL)
  • Molecule statistics: 6 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Mass parameters: 441.23 g/mol (Source: ChEMBL)
  • Mass parameters: 441.23 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.16 (Source: ChEMBL)
  • Molecule statistics: 88.41 (Source: ChEMBL)
  • Molecule statistics: 0.40 (Source: ChEMBL)
  • Molecule statistics: 6 (Source: ChEMBL)

    • Sources: PubChem (20) ChEMBL (11)

    Information (7)

  • Chemical formula: C17H15BrF2N4O3 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C17H15BrF2N4O3 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors: tyrosine kinase inhibitors; MEK (MAPK kinase) inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (6)