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Overview of CAS 211915-84-3

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4CH-018316
PharmaCompass
4CH-018316
Also known as: 211915-84-3, Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate, 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester, Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate, Ak-88839, Q-102528
Molecular Formula
C27H26N6O3
Molecular Weight
482.544  g/mol
InChI Key
OZBOESGNDSVMDK-UHFFFAOYSA-N

1 2D Structure

4CH-018316

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
2.1.2 InChI
InChI=1S/C27H26N6O3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30H,3,13,15,18H2,1-2H3
2.1.3 InChI Key
OZBOESGNDSVMDK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 211915-84-3

2. Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate

3. 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic Acid Ethyl Ester

4. Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate

5. Ak-88839

6. Q-102528

7. C27h28n6o3

8. 3-({2-[(4-cyano-phenylamino)-methyl]-1-methyl-1h-benzoimidazole-5-carbonyl]pyridin-2-ylamino)propion

9. 3-((2-[(4-cyano-phenylamino)-methyl]-1-methyl-1h-benzoimidazole-5-carbonyl)-pyridin-2-yl-amino)-propionic Acid Ethyl Ester

10. 3-({2-[(4-cyano-phenylamino)-methyl]-1-methyl-1h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic Acid Ethyl Ester

11. Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido

12. Pubchem19099

13. Dabigatran Intermediate 3

14. Schembl505917

15. Ctk8b6593

16. Ozboesgndsvmdk-uhfffaoysa-

17. Dtxsid90469667

18. Molport-005-942-345

19. Cs-m2456

20. An-463

21. Anw-53718

22. Mfcd22574205

23. Zinc22011578

24. [d]imidazole-5-carboxamido)propanoate

25. Akos015891389

26. Ac-7905

27. Acn-025212

28. Qc-8966

29. Rl02611

30. Aj-80481

31. Ds-18531

32. He070010

33. He324846

34. Kb-77039

35. Sc-44646

36. Ab0028925

37. Ax8226867

38. Db-003914

39. St2406907

40. Tc-142463

41. 4ch-018316

42. A4584

43. Ft-0687614

44. X1038

45. 915c843

46. I01-9351

47. 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-

48. Ethyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo

49. 1-methyl-2-[n-(4-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)-amide

50. 1-methyl-2-[n-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide

51. 1251023-37-6

52. 3-[[[2-[[(4-cyanophenyl) Amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic Acid Ethyl Ester

53. 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propanoic Acid Ethyl Ester

54. Ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate

55. Ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

56. Ethyl 3-[1-(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1,3-benzodiazol-5-yl)-n-(pyridin-2-yl)formamido]propanoate

57. Ethyl 3-{[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate

58. Ethyl N-{2-[(4-cyanoanilino)methyl]-1-methyl-1h-benzimidazole-5-carbonyl}-n-pyridin-2-yl-beta-alaninate

59. Inchi=1/c27h26n6o3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30h,3,13,15,18h2,1-2h3

60. N-(2-pyridyl)-n-(3-oxo-3-ethoxypropyl)-1-methyl-2-(4-cyanoanilinomethyl)-1h-benzoimidazole-5-carboxamide

61. N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]-n-2-pyridinyl-beta-alanine Ethyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 482.544 g/mol
Molecular Formula C27H26N6O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass482.207 g/mol
Monoisotopic Mass482.207 g/mol
Topological Polar Surface Area113 A^2
Heavy Atom Count36
Formal Charge0
Complexity792
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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