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Overview of CAS 139481-44-0

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4CH-014540
PharmaCompass
4CH-014540
Also known as: 139481-44-0, Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate, Ak-88391, C25h21n3o3
Molecular Formula
C25H21N3O3
Molecular Weight
411.461  g/mol
InChI Key
KSXLHOFDCDKQLH-UHFFFAOYSA-N

1 2D Structure

4CH-014540

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

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

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

5. Ak-88391

6. C25h21n3o3

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

8. Methyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

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

10. 1h-benzimidazole-7-carboxylic Acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, Methyl Ester

11. 1h-benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, Methyl Ester

12. 1h-benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methylester

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

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

15. Azilsartan Impurity 1

16. Acmc-209vl7

17. Ben721

18. Schembl3976108

19. Ctk4c1826

20. Dtxsid80576394

21. Ksxlhofdcdkqlh-uhfffaoysa-n

22. Molport-005-938-597

23. Ks-00000ma3

24. An-979

25. Anw-45209

26. Cm0137

27. Cx1031

28. Mfcd09031384

29. Qc-596

30. Zinc21992940

31. Akos015896142

32. Ac-7777

33. Ls40975

34. 3-(2'-cyano-biphenyl-4-ylmethyl)-2-ethoxy-3h-benzoimidazole-4-carboxylic Acid Methyl Ester

35. Aj-79799

36. Ds-18467

37. He067368

38. Sc-45247

39. Ab0022237

40. Ax8058657

41. Db-010917

42. Kb-202620

43. St2419458

44. Tx-011290

45. 4ch-014540

46. Am20120674

47. Ft-0659426

48. St51053176

49. W3051

50. 481b440

51. A807544

52. I06-1657

53. 3b1-001198

54. Methyl 1-[(2/'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-

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

56. 1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic Acid Ethyl Ester

57. 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylic Acid Methyl Ester

58. 3-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-3h-benzimidazole-4-carboxylic Acid Methyl Ester

59. 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-4-benzimidazolecarboxylic Acid Methyl Ester

60. Methyl 1-((2-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

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

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

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

64. Methyl 1-{[4-(2-cyanophenyl)phenyl]methyl}-2-ethoxy-1h-1,3-benzodiazole-7-carboxylate

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

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

67. Methyl 3-{[4-(2-cyanophenyl)phenyl]methyl}-2-ethoxy-1,3-benzodiazole-4-carboxylate

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

69. 1h-benzimidazole-7-carboxylic Acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methyl Ester

70. Methyl1-[(2 Inverted Exclamation Mark -cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

2.3 Create Date
2007-02-12
3 Chemical and Physical Properties
Molecular Weight 411.461 g/mol
Molecular Formula C25H21N3O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass411.158 g/mol
Monoisotopic Mass411.158 g/mol
Topological Polar Surface Area77.1 A^2
Heavy Atom Count31
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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