Chlormidazole

Synopsis, 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

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 Formula	C₁₅H₁₃ClN₂
Molecular Weight	256.73 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	256.0767261 g/mol
Monoisotopic Mass	256.0767261 g/mol
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	276
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1