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    Technical details about CAS 2147-83-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 2147-83-3

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 2147-83-3, 3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazol-2-one, 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazol-2-one, Mls000737175, 1-(1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone, 1-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2h-benzimidazol-2-one
    Molecular Formula
    C12H13N3O
    Molecular Weight
    215.25  g/mol
    InChI Key
    YFEOSTXFQCDCAR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one
    2.1.2 InChI
    InChI=1S/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16)
    2.1.3 InChI Key
    YFEOSTXFQCDCAR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCC=C1N2C3=CC=CC=C3NC2=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2147-83-3

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

    3. 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazol-2-one

    4. Mls000737175

    5. 1-(1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone

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

    7. 1-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzo[d]imidazol-2(3h)-one

    8. 1-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

    9. Smr000528403

    10. Nsc88883

    11. Benzoimidazol-2-one

    12. Mls001359872

    13. Schembl2895027

    14. Chembl1560353

    15. Dtxsid10175753

    16. Hms2858b19

    17. Zinc394330

    18. Bcp26441

    19. Einecs 218-415-2

    20. Mfcd00044827

    21. Nsc 88883

    22. Nsc-88883

    23. Akos015855694

    24. Gf-0125

    25. Ncgc00246897-01

    26. Db-005634

    27. Cs-0188237

    28. Ft-0634066

    29. T3085

    30. T72079

    31. 147d833

    32. A815408

    33. 1-(1,2,3,6-tetrahydro-pyridin-4-yl)-1,3-dihydro-

    34. 1-(1,2,3,6-tetrahydropyridine-4-yl)-1h-benzoimidazole-2(3h)-one

    35. 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazole2-one

    36. 13-dihydro-1-(1236-tetrahydro-4- Pyridinyl)-2h-benzimidazole-2-one

    37. 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazole-2-one, Aldrichcpr

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 215.25 g/mol
    Molecular Formula C12H13N3O
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass215.105862047 g/mol
    Monoisotopic Mass215.105862047 g/mol
    Topological Polar Surface Area44.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity326
    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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