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    CAS-20662-53-7

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 20662-53-7, 3-piperidin-4-yl-1h-benzimidazol-2-one, 4-(2-keto-1-benzimidozolinyl)piperidine, 1-(piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one, 4rp0aed2pc, 1-(piperidin-4-yl)-1,3-dihydro-2h-benzimidazol-2-one
    Molecular Formula
    C12H15N3O
    Molecular Weight
    217.27  g/mol
    InChI Key
    BYNBAMHAURJNTR-UHFFFAOYSA-N
    FDA UNII
    4RP0AED2PC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-piperidin-4-yl-1H-benzimidazol-2-one
    2.1.2 InChI
    InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
    2.1.3 InChI Key
    BYNBAMHAURJNTR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1N2C3=CC=CC=C3NC2=O
    2.2 Other Identifiers
    2.2.1 UNII
    4RP0AED2PC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzimidazolone

    2.3.2 Depositor-Supplied Synonyms

    1. 20662-53-7

    2. 3-piperidin-4-yl-1h-benzimidazol-2-one

    3. 4-(2-keto-1-benzimidozolinyl)piperidine

    4. 1-(piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one

    5. 4rp0aed2pc

    6. 1-(piperidin-4-yl)-1,3-dihydro-2h-benzimidazol-2-one

    7. 2h-benzimidazol-2-one, 1,3-dihydro-1-(4-piperidinyl)-

    8. 4-(1-benzimidazolinone)piperidine

    9. 1-(4-piperidinyl)-1,3-dihydro-2h-benzimidazol-2-one

    10. 4-(2-oxo-1-benzimidazolinyl)piperidine

    11. 4-(2-keto-1-benzimidazolinyl)-piperidine

    12. 1-(piperidin-4-yl)-1h-benzimidazol-2-ol

    13. Unii-4rp0aed2pc

    14. Einecs 243-950-3

    15. Mfcd00005714

    16. 4-(2-keto-1-benzimidozolinyl) Piperidine

    17. 4-(2'-oxobenzimidazolin-1'-yl)piperidine

    18. Dsstox_cid_31468

    19. Dsstox_rid_97353

    20. Dsstox_gsid_57679

    21. Schembl44492

    22. 1,3-dihydro-1-(4-piperidinyl)-2h-benzimidazol-2-one

    23. 4-(2-oxo-2,3-dihydro-benzimidazol-1-yl)-piperidine

    24. Schembl9876669

    25. 4-piperidyl-2-benzimidazolinone

    26. Chembl3331429

    27. Dtxsid0057679

    28. Zinc119391

    29. Act05839

    30. Albb-034377

    31. Tox21_113910

    32. Ccg-40889

    33. Stk519516

    34. 1-(4-piperidyl)-2-benzimidazolinone

    35. 1-(4-piperidyl)benzimidazolin-2-one

    36. Akos000268914

    37. Akos005177353

    38. 1-(4-piperidinyl)-2-benzimidazolinone

    39. 4-(2-keto-1-benzimidazolyl)piperidine

    40. Am84716

    41. 1-(4-piperidinyl)-2-oxobenzimidazoline

    42. 4(2-keto-1-benzimidazolinyl)piperidine

    43. 4-(2-oxobenzimidazolin-1-yl)piperidine

    44. 4-(2-keto-1-benzimidazolinyl)piperadine

    45. Ncgc00262912-01

    46. 4-(2-keto-1-benzoimidazolinyl)piperidine

    47. 4-(2-oxo-1-benzimidazolinyl) Piperidine

    48. 4-(2-oxo-1-benzimidazolinyl)-piperidine

    49. Ac-13177

    50. As-35672

    51. Bp-12472

    52. Pimozide Impurity A [ep Impurity]

    53. 1-(4-piperidinyl)-2h-benzimidazol-2-one

    54. 4-(2-keto-1 - Benzimidazolinyl)piperidine

    55. Cas-20662-53-7

    56. 1-(4-piperidinyl)-2-benzimidazolone

    57. 4-(2-oxo-1-benzimidazoly)piperidine

    58. Cs-0200083

    59. En300-34383

    60. 1-(piperidin-4-yl)-1h-benzo[d]imidazol-2-ol

    61. 4-(2-keto-1-benzimidazolinyl)piperidine, 98%

    62. 1-(4-piperidinyl)-1h-benzimidazole-2(3h)-one

    63. 1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one

    64. 1-piperidin-4-yl-1,3-dihydro-benzimidazol-2-one

    65. 662k537

    66. A814790

    67. R-30507

    68. 1,3-dihydro-1-(4-piperidinyl)benzoimidazol-2-one

    69. 1-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one

    70. J-200160

    71. Sr-01000630997-1

    72. 1-piperidin-4-yl-1,3-dihydro-2h-benzimidazol-2-one

    73. Q27260404

    74. 1-(4-piperidinyl)-1,3-dihydro-2(2h)-benzimidazolone

    75. 4-(1,3-dihydro-2h-benzimidazol-2-on-1-yl)piperidine

    76. 4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidine

    77. 4-(2-oxo-1,3-dihydrobenzimidazol-1-yl)piperidine

    78. 1,3-dihydro-1-(piperidin-4-yl)-2h-benzimidazol-2-one ,97%

    79. 4-(2-oxo-1,3-dihydro-2h-benzimidazol-1-yl)piperidine

    80. 1-(piperidin-4-yl)-1,3-dihydro-2h-benzo[d]imidazol-2-one;1-(piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 217.27 g/mol
    Molecular Formula C12H15N3O
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass217.121512110 g/mol
    Monoisotopic Mass217.121512110 g/mol
    Topological Polar Surface Area44.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity275
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    1,3- dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one (DHPBI) is a known human metabolite of pimozide.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560