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    Benzamide, 3-5-6-Methyl-2-Pyridinyl-4-6-Quinoxalinyl-1H-Imidazol-2-Yl-Methyl

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: In-1130, 868612-83-3, In 1130, In1130, Chembl492634, Kw4o83pq97
    Molecular Formula
    C25H20N6O
    Molecular Weight
    420.5  g/mol
    InChI Key
    RYKSGWSKILPDDY-UHFFFAOYSA-N
    FDA UNII
    KW4O83PQ97
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[5-(6-methylpyridin-2-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
    2.1.2 InChI
    InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
    2.1.3 InChI Key
    RYKSGWSKILPDDY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC(=CC=C1)C2=C(N=C(N2)CC3=CC(=CC=C3)C(=O)N)C4=CC5=NC=CN=C5C=C4
    2.2 Other Identifiers
    2.2.1 UNII
    KW4O83PQ97
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1h-imidazol-2-yl)methyl)benzamide

    2. In 1130

    3. In-1130

    4. In1130

    2.3.2 Depositor-Supplied Synonyms

    1. In-1130

    2. 868612-83-3

    3. In 1130

    4. In1130

    5. Chembl492634

    6. Kw4o83pq97

    7. Benzamide, 3-((5-(6-methyl-2-pyridinyl)-4-(6-quinoxalinyl)-1h-imidazol-2-yl)methyl)-

    8. 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1h-imidazol-2-yl) Methyl)benzamide

    9. 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1h-imidazol-2-yl)methyl)benzamide

    10. Unii-kw4o83pq97

    11. Schembl139815

    12. Schembl22170124

    13. Bdbm50252542

    14. Zinc13985930

    15. Akos032962854

    16. Ncgc00386726-01

    17. Ncgc00386726-02

    18. Hy-18758

    19. Cs-0014265

    20. E98928

    21. Q27282469

    22. 3-[[5-(6-methyl-2-pyridinyl)-4-(6-quinoxalinyl)-1h-imidazol-2-yl]methyl]benzamide

    23. 3-[[5-(6-methylpyridin-2-yl)-4-quinoxalin-6-yl-1h-imidazol-2-yl]methyl]benzamide

    24. 940003-47-4

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 420.5 g/mol
    Molecular Formula C25H20N6O
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass420.16985928 g/mol
    Monoisotopic Mass420.16985928 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity646
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1