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    Chlormidazole

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Clomidazole, 3689-76-7, 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole, 1-p-chlorobenzyl-2-methylbenzimidazole, 1h-benzimidazole, 1-[(4-chlorophenyl)methyl]-2-methyl-, 8ikk64fjvx
    Molecular Formula
    C15H13ClN2
    Molecular Weight
    256.73  g/mol
    InChI Key
    WNAQOLSMVPFGTE-UHFFFAOYSA-N
    FDA UNII
    8IKK64FJVX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole
    2.1.2 InChI
    InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
    2.1.3 InChI Key
    WNAQOLSMVPFGTE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    8IKK64FJVX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Mycopolycid

    2.3.2 Depositor-Supplied Synonyms

    1. Clomidazole

    2. 3689-76-7

    3. 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole

    4. 1-p-chlorobenzyl-2-methylbenzimidazole

    5. 1h-benzimidazole, 1-[(4-chlorophenyl)methyl]-2-methyl-

    6. 8ikk64fjvx

    7. Mls001240197

    8. 1-(4-chloro-benzyl)-2-methyl-1h-benzoimidazole

    9. Chlormidazole (inn)

    10. Ncgc00160416-01

    11. Chlormidazolum

    12. Clormidazol

    13. Smr000674565

    14. 1-(4-chlorobenzyl)-2-methyl-1h-benzimidazole

    15. Chlormidazole [inn]

    16. Dsstox_cid_26140

    17. Dsstox_rid_81373

    18. Dsstox_gsid_46140

    19. Clomidazolum

    20. Cas-3689-76-7

    21. Unii-8ikk64fjvx

    22. Chlormidazole [inn:ban]

    23. Clormidazol [inn-spanish]

    24. Chlormidazolum [inn-latin]

    25. H 115

    26. Einecs 222-998-9

    27. Chlormidazole [mi]

    28. Cid_71821

    29. Schembl148113

    30. Chlormidazole [who-dd]

    31. Chembl152649

    32. Dtxsid5046140

    33. Bdbm97156

    34. Zinc84088

    35. Chebi:135058

    36. Hms2231h21

    37. Hms3372p07

    38. Hy-b1144

    39. Tox21_111799

    40. Stk697993

    41. Akos000560152

    42. Tox21_111799_1

    43. Ccg-142710

    44. Cs-4748

    45. Db13611

    46. Ncgc00160416-02

    47. 1-(4-chlorobenzyl)-2-methyl-benzimidazole

    48. Ft-0623610

    49. D02557

    50. Ab00876240_06

    51. 689c767

    52. Sr-01000837498

    53. 1-[(4-chlorophenyl)methyl]-2-methyl-benzimidazole

    54. Sr-01000837498-2

    55. 2,17a-dimethyl-17beta-hydroxy-5a-androst-1-ene-3-one

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 256.73 g/mol
    Molecular Formula C15H13ClN2
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass256.0767261 g/mol
    Monoisotopic Mass256.0767261 g/mol
    Topological Polar Surface Area17.8 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity276
    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 ATC Code

    D - Dermatologicals

    D01 - Antifungals for dermatological use

    D01A - Antifungals for topical use

    D01AC - Imidazole and triazole derivatives

    D01AC04 - Chlormidazole