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    CAS 1231930-37-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1231930-37-2, 1h-benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazol-6-yl)boronic acid pinacol ester, 4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazole, 4-fluoro-2-methyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-1,3-benzodiazole
    Molecular Formula
    C17H24BFN2O2
    Molecular Weight
    318.2  g/mol
    InChI Key
    HUSPISQCNSLJSR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
    2.1.2 InChI
    InChI=1S/C17H24BFN2O2/c1-10(2)21-11(3)20-15-13(19)8-12(9-14(15)21)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3
    2.1.3 InChI Key
    HUSPISQCNSLJSR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)N=C(N3C(C)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1231930-37-2

    2. 1h-benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

    3. (4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazol-6-yl)boronic Acid Pinacol Ester

    4. 4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

    5. 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazole

    6. 4-fluoro-2-methyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-1,3-benzodiazole

    7. Ly2835219-intermediate-4

    8. Schembl2511865

    9. Dtxsid801114022

    10. Amy12372

    11. Bcp14849

    12. Cs-m2090

    13. Mfcd25977327

    14. Akos025404836

    15. Zinc204073456

    16. Ds-8915

    17. Sb15066

    18. Db-106812

    19. A890841

    20. 4-fluoro-1-isopropyl-2-methylbenzimidazole-6-boronic Acid Pinacol Ester

    21. 4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazole-6-boronic Acid Pinacol Ester

    22. 1-isopropyl-2-methyl-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-benzoimidazole

    23. 1h-benzimidazole,4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 318.2 g/mol
    Molecular Formula C17H24BFN2O2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass318.1914863 g/mol
    Monoisotopic Mass318.1914863 g/mol
    Topological Polar Surface Area36.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity444
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1