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    Varoglutamstat

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Pq912, Pq-912, 1276021-65-8, Unii-e3dsh8ll4l, E3dsh8ll4l, (5s)-1-(3h-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
    Molecular Formula
    C19H20N4O2
    Molecular Weight
    336.4  g/mol
    InChI Key
    XHIKZWOEFZENIX-GOSISDBHSA-N
    FDA UNII
    E3DSH8LL4L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
    2.1.2 InChI
    InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
    2.1.3 InChI Key
    XHIKZWOEFZENIX-GOSISDBHSA-N
    2.1.4 Canonical SMILES
    CCCOC1=CC=C(C=C1)C2CNC(=O)N2C3=CC4=C(C=C3)N=CN4
    2.1.5 Isomeric SMILES
    CCCOC1=CC=C(C=C1)[C@H]2CNC(=O)N2C3=CC4=C(C=C3)N=CN4
    2.2 Other Identifiers
    2.2.1 UNII
    E3DSH8LL4L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Pq912

    2. Pq-912

    3. 1276021-65-8

    4. Unii-e3dsh8ll4l

    5. E3dsh8ll4l

    6. (5s)-1-(3h-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

    7. (s)-1-(1h-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

    8. 2-imidazolidinone, 1-(1h-benzimidazol-6-yl)-5-(4-propoxyphenyl)-, (5s)-

    9. Varoglutamstat [inn]

    10. Schembl1443998

    11. Chembl3659477

    12. Propoxyphenyl)imidazolidin-2-one

    13. Bdbm98182

    14. Bdbm308046

    15. Glxc-15093

    16. Ex-a5632

    17. Pq 912

    18. Hy-123821

    19. Cs-0086154

    20. (s)-1-(1h-benzo[d]imidazol-5-yl)-5-(4-

    21. Us8486940, 14

    22. Us9650362, 14

    23. (5s)-1-(1h-benzimidazol-5-yl)-5-(4- Propoxyphenyl)imidazolidin-2-one

    24. (s)-1-(1h- Benzo[d]imidazol-5-yl)-5-(4- Propoxyphenyl)imidazolidin- 2-one

    2.4 Create Date
    2011-04-18
    3 Chemical and Physical Properties
    Molecular Weight 336.4 g/mol
    Molecular Formula C19H20N4O2
    XLogP32.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass336.15862589 g/mol
    Monoisotopic Mass336.15862589 g/mol
    Topological Polar Surface Area70.2 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity466
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1