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    CAS 131020-57-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 131020-57-0, 4,5,6,7-tetrahydro-1h-benzo[d]imidazole-5-carboxylic acid hydrochloride, 4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid hydrochloride, 4,5,6,7-tetrahydro-1h-1,3-benzodiazole-5-carboxylic acid hydrochloride, 4,5,6,7-tetrahydro-1h-benzoimidazole-5-carboxylic acid, hcl, 4,5,6,7-tetrahydro-3h-benzimidazole-5-carboxylic acid;hydrochloride
    Molecular Formula
    C8H11ClN2O2
    Molecular Weight
    202.64  g/mol
    InChI Key
    HCLOFQMHYZETCL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H10N2O2.ClH/c11-8(12)5-1-2-6-7(3-5)10-4-9-6;/h4-5H,1-3H2,(H,9,10)(H,11,12);1H
    2.1.3 InChI Key
    HCLOFQMHYZETCL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(CC1C(=O)O)NC=N2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 131020-57-0

    2. 4,5,6,7-tetrahydro-1h-benzo[d]imidazole-5-carboxylic Acid Hydrochloride

    3. 4,5,6,7-tetrahydrobenzimidazole-5-carboxylic Acid Hydrochloride

    4. 4,5,6,7-tetrahydro-1h-1,3-benzodiazole-5-carboxylic Acid Hydrochloride

    5. 4,5,6,7-tetrahydro-1h-benzoimidazole-5-carboxylic Acid, Hcl

    6. 4,5,6,7-tetrahydro-3h-benzimidazole-5-carboxylic Acid;hydrochloride

    7. Mfcd18157694

    8. 4,5,6,7-tetrahydro-1h-benzo[d]imidazole-5-carboxylic Acid Hcl

    9. 4,5,6,7-tetrahydro-1h-benzo[d]imidazole-6-carboxylic Acid Hcl

    10. 4,5,6,7-tetrahydrobenzimidazole-5-carboxylic Acid Hcl

    11. Schembl3184832

    12. Chembl1773949

    13. Dtxsid10692839

    14. Amy15263

    15. Bcp14715

    16. Akos015919913

    17. Cs-w003894

    18. Ds-0707

    19. Fd17082

    20. Ac-26298

    21. Sy026670

    22. A847880

    23. F2147-1872

    24. Z1741975324

    25. (+)-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic Acid Hydrochloride

    26. 4,5,6,7-tetrahydrobenzimidazole-5-carboxylic Acid Hydro-chloride

    27. 4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic Acid Hydrochloride (1:1)

    28. 4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic Acid, Hydrochloride

    29. 4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic Acid, Hydrochloride Salt

    30. 4,5,6,7-tetrahydro-1h-benzo[d]imidazole-5-carboxylicacidhydrochloride

    31. 1h-benzimidazole-6-carboxylic Acid, 4,5,6,7-tetrahydro-, Hydrochloride (1:1)

    32. 4,5,6,7-tetrahydro-1h-benzimidazole-6-carboxylic Acid--hydrogen Chloride (1/1)

    33. 4,5,6,7-tetrahydro-1h-benzoimidazole-5-carboxylic Acid Hydrochloride;4,5,6,7-tetrahydrobenzimidazole-5-carboxylic Acid Hydrochloride

    2.3 Create Date
    2011-06-27
    3 Chemical and Physical Properties
    Molecular Weight 202.64 g/mol
    Molecular Formula C8H11ClN2O2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass202.0509053 g/mol
    Monoisotopic Mass202.0509053 g/mol
    Topological Polar Surface Area66 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity196
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2