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Home > Encyclopedia > 3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-

3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-

3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H- structure

3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H- 

structure
  • CAS No:

    211915-84-3

  • Formula:

    C27H26N6O3

  • Chemical Name:

    3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-

  • Synonyms:

    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-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate;C27H28N6O3;3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester;Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido;3-((2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl)-pyridin-2-yl-amino)-propionic acid ethyl ester;PubChem19099;CID 11627749

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

White Solid

3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H- Basic Attributes

482.53

482.207

DTXSID90469667

Characteristics

113

3.1

1.25±0.1 g/cm3(Predicted)

756.382ºC at 760 mmHg

1.64

0mmHg at 25°C

3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H- Use and Manufacturing

Nonpeptide thrombin inhibitor intermediate.

Computed Properties

Molecular Weight:482.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:482.20663871
Monoisotopic Mass:482.20663871
Topological Polar Surface Area:113
Heavy Atom Count:36
Complexity:792
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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