CAS 139481-44-0

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Also known as: 139481-44-0, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate, Methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate, 1-[(2'-cyano-1,1'-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic acid methyl ester, Methyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylate

Molecular Formula

C₂₅H₂₁N₃O₃

Molecular Weight

411.5 g/mol

InChI Key

KSXLHOFDCDKQLH-UHFFFAOYSA-N

1 2D Structure

CAS 139481-44-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3

2.1.3 InChI Key

KSXLHOFDCDKQLH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 139481-44-0

2. Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

3. Methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate

4. Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

5. 1-[(2'-cyano-1,1'-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic Acid Methyl Ester

6. Methyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylate

7. Methyl 1-((2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

8. Methyl 1-[(2'-cyanobiphenyl-4-yl]methyl]-2-ethoxybenzimidazole-7-carboxylate

9. Methyl 1-[(2'-cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

10. Azilsartan Impurity 1

11. Ec 604-137-2

12. 1h-benzimidazole-7-carboxylic Acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, Methyl Ester

13. Schembl3976108

14. Dtxsid80576394

15. Bcp22836

16. Cx1031

17. Mfcd09031384

18. Zinc21992940

19. Akos015896142

20. Ac-7777

21. 3-(2'-cyano-biphenyl-4-ylmethyl)-2-ethoxy-3h-benzoimidazole-4-carboxylic Acid Methyl Ester

22. Methyl 1-((2'-cyanobiphenyl-4-yl) Methyl)-2-ethoxy-1h-benzimidazole-7-carboxylate

23. Methyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

24. Methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylate

25. 1h-benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methylester

26. Ds-18467

27. Db-010917

28. Am20120674

29. Cs-0151435

30. Ft-0659426

31. M3197

32. 481b440

33. A807544

34. Methyl 1-(2'-cyanobiphenyl-4-yl)methyl-2-ethoxybenzimidazole-7-carboxylate

35. 1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic Acid Ethyl Ester

36. 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylic Acid Methyl Ester

37. 1-[[2'-cyano-biphenyl-4-yl] Methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate Methyl Ester

38. 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-4-benzimidazolecarboxylic Acid Methyl Ester

39. Methyl 1-[(2'-cyanobiphenyl-4-yl)-methyl]-2-ethoxybenzimidazole-7-carboxylate

40. Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-benzimidazole-7-carboxylate

41. Methyl 1[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-benzimidazole-7-carboxylate

42. Methyl-1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

43. 1h-benzimidazole-7-carboxylic Acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methyl Ester

44. 1h-benzimidazole-7-carboxylicacid,1-[(2 Inverted Exclamation Mark -cyano[1,1 Inverted Exclamation Mark -biphenyl]-4-yl)methyl]-2-ethoxy-,methyl Ester

45. Methyl 1-((2\'-cyano-[1,1\'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

46. Methyl1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

2.3 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₁N₃O₃
Molecular Weight	411.5 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	411.15829154 g/mol
Monoisotopic Mass	411.15829154 g/mol
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	654
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