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Chemistry

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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

Chlormidazole
1 2D Structure

Chlormidazole

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


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