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    CAS 62780-89-6

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    CAS 62780-89-6
    Also known as: 62780-89-6, 1-(3-chloropropyl)-1h-benzo[d]imidazol-2(3h)-one, 3-(3-chloropropyl)-1h-benzimidazol-2-one, 1-(3-chloropropyl)-2-benzimidazolidinone, 3-(3-chloropropyl)-2,3-dihydro-1h-benzimidazole-2-one, Domperidone impurity
    Molecular Formula
    C10H11ClN2O
    Molecular Weight
    210.66  g/mol
    InChI Key
    GUMPYDGUYXOYML-UHFFFAOYSA-N
    1 2D Structure

    CAS 62780-89-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(3-chloropropyl)-1H-benzimidazol-2-one
    2.1.2 InChI
    InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)
    2.1.3 InChI Key
    GUMPYDGUYXOYML-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)NC(=O)N2CCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 62780-89-6

    2. 1-(3-chloropropyl)-1h-benzo[d]imidazol-2(3h)-one

    3. 3-(3-chloropropyl)-1h-benzimidazol-2-one

    4. 1-(3-chloropropyl)-2-benzimidazolidinone

    5. 3-(3-chloropropyl)-2,3-dihydro-1h-benzimidazole-2-one

    6. Domperidone Impurity

    7. Einecs 263-731-6

    8. 1-(3-chloropropyl)-1,3-dihydro-2h-benzimidazole-2-one

    9. Domperidone Impurity 1

    10. Chemdiv2_000053

    11. 1-(3-chloropropyl)-1,3-dihydrobenzimidazol-2-one

    12. Schembl318787

    13. Schembl8185591

    14. 2h-benzimidazol-2-one,1-(3-chloropropyl)-1,3-dihydro-

    15. Dtxsid90211845

    16. Hms1369c09

    17. N-(3-chloropropyl)-benzimidazolone

    18. Albb-021291

    19. Amy40874

    20. Bcp34402

    21. Zinc2168830

    22. Bbl011730

    23. Mfcd00044896

    24. Stk802544

    25. Akos000121336

    26. Ac-3215

    27. Bs-9881

    28. Db-018506

    29. Bb 0242378

    30. Cs-0237003

    31. Eu-0066726

    32. Ft-0640851

    33. 1-(3-chloropropyl)-1h-benzoimidazole-2(3h)-one

    34. A868364

    35. 1(3-chloropropyl)-1,3-dihydro-2h-benzimidazol-2-one

    36. 1-(3-chloro Propyl)-2,3-dihydro-1h-benzimidazol-2-one

    37. 1-(3-chloro-propyl)-1,3-dihydro-benzoimidaz Ol-2-one

    38. 1-(3-chloropropyl)-1,3-dihydro-2-oxo-2h-benzimidazole

    39. 1-(3-chloropropyl)-1,3-dihydro-2h-bezimidazol-2-one

    40. 1-(3-choropropyl)-1,3-dihydro-2h-benzimidazol-2-one

    41. 2h-benzimidazol-2-one, 1-(3-chloropropyl)-1,3-dihydro-

    42. 1-(3-chloropropyl)-1,3-dihydro-2h-1,3-benzimidazol-2-one

    43. 1-(3-chloropropyl)-1,3-dihydro-2h-benzimidazol-2-one, Aldrichcpr

    2.3 Create Date
    2005-07-12
    3 Chemical and Physical Properties
    Molecular Weight 210.66 g/mol
    Molecular Formula C10H11ClN2O
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass210.0559907 g/mol
    Monoisotopic Mass210.0559907 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity222
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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