CAS 53786-28-0

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6 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 53786-28-0, 5-chloro-1-(4-piperidyl)-2-benzimidazolinone, 1-(4-piperidinyl)-1,3-dihydro-5-chlorobenzimidazolone, 6-chloro-3-piperidin-4-yl-1h-benzimidazol-2-one, Domperidone impurity a, 5-chloro-1,3-dihydro-1-(4-piperidinyl)-2h-benzimidazol-2-one

Molecular Formula

C₁₂H₁₄ClN₃O

Molecular Weight

251.71 g/mol

InChI Key

DOAYWDKFDPSTSV-UHFFFAOYSA-N

FDA UNII

53TAT94YDS

1 2D Structure

CAS 53786-28-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one

2.1.2 InChI

InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)

2.1.3 InChI Key

DOAYWDKFDPSTSV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=O

2.2 Other Identifiers

2.2.1 UNII

53TAT94YDS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 53786-28-0

2. 5-chloro-1-(4-piperidyl)-2-benzimidazolinone

3. 1-(4-piperidinyl)-1,3-dihydro-5-chlorobenzimidazolone

4. 6-chloro-3-piperidin-4-yl-1h-benzimidazol-2-one

5. Domperidone Impurity A

6. 5-chloro-1,3-dihydro-1-(4-piperidinyl)-2h-benzimidazol-2-one

7. 5-chloro-1-(4-piperidinyl)-2-benzimidazolinone

8. 5-chloro-1-piperidin-4-yl-1,3-dihydro-2h-benzimidazol-2-one

9. 2h-benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(4-piperidinyl)-

10. 5-chloro-1-(piperidin-4-yl)-1,3-dihydro-2h-benzimidazol-2-one

11. 53tat94yds

12. 5-chloro-1-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one

13. R-29676

14. 5-chloro-1-(4-piperidyl)-1h-benzimidazol-2(3h)-one

15. Einecs 258-771-6

16. Domperidone Ep Impurity A

17. Unii-53tat94yds

18. Dsstox_cid_31553

19. Dsstox_rid_97438

20. Dsstox_gsid_57764

21. Schembl655853

22. Chembl3189082

23. Dtxsid4057764

24. Schembl22588043

25. Amy40896

26. Bcp34405

27. Str08979

28. Zinc5019445

29. Tox21_113838

30. Mfcd02093793

31. Akos015888111

32. Ab10845

33. Gf-0121

34. Ncgc00253719-01

35. Ac-18949

36. Cas-53786-28-0

37. Db-018623

38. Cs-0155747

39. Ft-0640191

40. 1-(4-piperidyl)-5-chloro-2-benzimidazolinone

41. R29676

42. 1-(4-piperidyl)-5-chloro-benzimidazolin-2-one

43. 4-(5-chloro-2-oxo-1-benzimidazolinyl)piperidine

44. 4-(5-chlorobenzimidazol-2-on-1-yl)-piperidine

45. 5-chloro-1-(4-piperidyl)- 2-benzimidazolinone

46. Sr-01000945186

47. Sr-01000945186-1

48. 5-chloro-1-(4-piperidyl)-2-benzimidazolinone, 97%

49. 5-chloro-1-(4-piperidinyl)-2-benzimidazolidinone

50. 5-chloro-1-dihydro-1-(4-piperidinyl)-2h-benzimidazole-2-one

51. 4-(6-chloro-1,2-dihydro-2-oxobenzo(d)imidazol-3-yl)piperidine

52. 5-chloro 1,3 Dihydro -1- (4-piperidinyl) -2h- Benzimidazol - 2 -one

53. 5-chloro-1,3-dihydro-1-(piperidin-4-yl)-2h-benzimidazol-2-one

54. 5-chloro-1-(4-piperidinyl)-1,3-dihydro-2h-benzimidazol-2-one

55. 5-chloro-1-(piperidin-4-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄ClN₃O
Molecular Weight	251.71 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	251.0825398 g/mol
Monoisotopic Mass	251.0825398 g/mol
Topological Polar Surface Area	44.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	306
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