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CAS 139481-41-7
PharmaCompass
CAS 139481-41-7
Also known as: 139481-41-7, Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate, Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) methyl] benzimidazole]-7-carboxylate, Ethyl -2-ethoxy-1-[[(2 inverted exclamation marka-cyanobiphenyl-4-yl) methyl] benzimidazole] -7-carboxylate, Ak-25407, C26h23n3o3
Molecular Formula
C26H23N3O3
Molecular Weight
425.488  g/mol
InChI Key
GYTTUVXCCHRIBA-UHFFFAOYSA-N

1 2D Structure

CAS 139481-41-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C26H23N3O3/c1-3-31-25(30)22-10-7-11-23-24(22)29(26(28-23)32-4-2)17-18-12-14-19(15-13-18)21-9-6-5-8-20(21)16-27/h5-15H,3-4,17H2,1-2H3
2.1.3 InChI Key
GYTTUVXCCHRIBA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 139481-41-7

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

3. Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-carboxylate

4. Ethyl -2-ethoxy-1-[[(2 Inverted Exclamation Marka-cyanobiphenyl-4-yl) Methyl] Benzimidazole] -7-carboxylate

5. Ak-25407

6. C26h23n3o3

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

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

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

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

11. Schembl848507

12. Ctk6g3416

13. Ks-00000itj

14. Dtxsid80572750

15. Molport-005-937-291

16. Ce0092

17. Mfcd23381573

18. Zinc21989286

19. Akos015896141

20. Am84368

21. Ds-0460

22. Qc-8145

23. Ac-26326

24. Aj-79631

25. An-31728

26. Bc213790

27. Br-25407

28. Cj-17136

29. He067990

30. He309525

31. S022

32. Sc-22923

33. Ab0056518

34. Ax8018242

35. Kb-251789

36. St2412862

37. Ft-0648291

38. St51053175

39. A807543

40. I06-1656

41. 1h-benzimidazole-7-carboxylicacid,1-[(2'-cyano[1,1

42. 3b1-001197

43. Ethyl-2-ethoxy-1-[[ Methyl]benzimidazole]-7-carboxylate

44. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole7-carboxylate

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

46. 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-4-benzimidazolecarboxylic Acid Ethyl Ester

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

48. Ethyl 1-[(2'-cyano-4-biphenylyl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

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

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

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

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

53. Ethyl 2-ethoxy-1-[[(2;-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

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

55. Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) Methyl] Benzimidazole] -7-carboxylate

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

57. 1h-benzimidazole-7-carboxylic Acid,1-((2-cyano(1,1-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester

58. 3-(2'-cyano- Biphenyl-4-ylmethyl)-2-ethoxy-3h-benzoimidazole-4-carboxylic Acid Ethyl Ester

59. Ethyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1h-1,3-benzodiazole-7-carboxylate

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 425.488 g/mol
Molecular Formula C26H23N3O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass425.174 g/mol
Monoisotopic Mass425.174 g/mol
Topological Polar Surface Area77.1 A^2
Heavy Atom Count32
Formal Charge0
Complexity669
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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