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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Fk-614, 193012-35-0, Fk614, Atx08-001, V5q32bzx79, 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3h-benzimidazole-5-carboxamide

Molecular Formula

C₂₁H₂₃Cl₂N₃O₃S

Molecular Weight

468.4 g/mol

InChI Key

UYGZODVVDUIDDQ-UHFFFAOYSA-N

FDA UNII

V5Q32BZX79

FK614 has been used in trials studying the treatment of Diabetes Mellitus.

1 2D Structure

Fk 614

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide

2.1.2 InChI

InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)

2.1.3 InChI Key

UYGZODVVDUIDDQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)C

2.2 Other Identifiers

2.2.1 UNII

V5Q32BZX79

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3 H-benzimidazole-5-carboxamide

2. Fk614 Cpd

2.3.2 Depositor-Supplied Synonyms

1. Fk-614

2. 193012-35-0

3. Fk614

4. Atx08-001

5. V5q32bzx79

6. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3h-benzimidazole-5-carboxamide

7. Unii-v5q32bzx79

8. Fk 614

9. Schembl682052

10. Chembl3545278

11. Dtxsid60940978

12. Bdbm50469398

13. Db12557

14. Sb16865

15. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3 H-benzimidazole-5-carboxamide

16. 1-[(2,4-dichlorophenyl)methyl]-2-methyl-n-(pentane-1-sulfonyl)-1h-benzimidazole-6-carboximidic Acid

17. Hy-101292

18. Cs-0021092

19. A857643

20. Q27291562

21. 1-(2,4-dichlorobenzyl)-2-methyl-6-(1-pentanesulfonylcarbamoyl)benzimidazole

22. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3h-benzimidazole-5-carboxami-de

23. 3-[(2,4-dichlorophenyl)methyl]-2-methyl-n-pentylsulfonylbenzimidazole-5-carboxamide

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₃Cl₂N₃O₃S
Molecular Weight	468.4 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	467.0837182 g/mol
Monoisotopic Mass	467.0837182 g/mol
Topological Polar Surface Area	89.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	688
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