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    CAS 3273-68-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3273-68-5, 4-(2-oxo-3h-benzimidazol-1-yl)butanoic acid, 2-oxo-1-benzimidazolinebutyric acid, 4-(2-oxo-2,3-dihydrobenzimidazol-1-yl)butyric acid, 1h-benzimidazole-1-butanoic acid, 2,3-dihydro-2-oxo, 1h-benzimidazole-1-butanoic acid, 2,3-dihydro-2-oxo-
    Molecular Formula
    C11H12N2O3
    Molecular Weight
    220.22  g/mol
    InChI Key
    PTNUQSFEJXMNOQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid
    2.1.2 InChI
    InChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)
    2.1.3 InChI Key
    PTNUQSFEJXMNOQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)NC(=O)N2CCCC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3273-68-5

    2. 4-(2-oxo-3h-benzimidazol-1-yl)butanoic Acid

    3. 2-oxo-1-benzimidazolinebutyric Acid

    4. 4-(2-oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid

    5. 1h-benzimidazole-1-butanoic Acid, 2,3-dihydro-2-oxo

    6. 1h-benzimidazole-1-butanoic Acid, 2,3-dihydro-2-oxo-

    7. 4-(2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl)butanoic Acid

    8. Mfcd06656423

    9. 4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)butanoic Acid

    10. 1h-benzimidazole-1-butanoic Acid,2,3-dihydro-2-oxo

    11. Buzolic Acid

    12. Schembl97551

    13. 1h-benzimidazole-1-butanoicacid, 2,3-dihydro-2-oxo-

    14. Dtxsid90532082

    15. 4-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-1-yl)butanoicacid

    16. 4-(2-oxo-2,3-dihydro-1h-1,3-benzimidazol-1-yl)-butanoic Acid

    17. Bcp18192

    18. Cs-m2356

    19. Zinc16698697

    20. Akos005070096

    21. Am90199

    22. Pb12373

    23. Sy033508

    24. Db-014725

    25. Ft-0673417

    26. 1z-0605

    27. A852625

    28. 2,3-dihydro-2-oxo-1h-benzimidazol-1-butanoic Acid

    29. 2,3-dihydro-2-oxo-1h-benzimidazole-l-butanoic Acid

    30. J-018861

    31. J-513338

    32. 1h-benzimidazole-1-butanoic Acid,2,3-dihydro-2-oxo-

    33. 4-(2-oxo-2,3-dihydro-1h-1,3-benzimidazol-1-yl)butanoic Acid

    34. 4-(2-oxo-2,3-dihydro-1h-1,3- Benzodiazol-1-yl)butanoic Acid

    35. 4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)butanoic Acid;4-(2-oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 220.22 g/mol
    Molecular Formula C11H12N2O3
    XLogP30.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass220.08479225 g/mol
    Monoisotopic Mass220.08479225 g/mol
    Topological Polar Surface Area69.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity293
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1