CAS 53786-28-0 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 53786-28-0
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 Weight 251.71 g/mol
Molecular Formula C12H14ClN3O
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass251.0825398 g/mol
Monoisotopic Mass251.0825398 g/mol
Topological Polar Surface Area44.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity306
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 Metabolism/Metabolites

5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one is a known human metabolite of domperidone.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty