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CHEMISTRY
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DEVELOPMENTS

12 Drugs in Development

12 Drugs in Development

Synopsis

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Chemistry

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Also known as: Opakalim (usan), Opakalim [usan], 2376397-93-0, Opakalim [inn], 73h9j7rba2, Schembl21354674

Molecular Formula

C₁₈H₂₂F₂N₄O

Molecular Weight

348.4 g/mol

InChI Key

VOPRSHDHZUHPBT-UHFFFAOYSA-N

FDA UNII

73H9J7RBA2

1 2D Structure

Opakalim

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide

2.1.2 InChI

InChI=1S/C18H22F2N4O/c1-17(2,3)8-12(25)22-16-23-14-11(19)7-10(9-21)13(20)15(14)24(16)18(4,5)6/h7H,8H2,1-6H3,(H,22,23,25)

2.1.3 InChI Key

VOPRSHDHZUHPBT-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

73H9J7RBA2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Opakalim (usan)

2. Opakalim [usan]

3. 2376397-93-0

4. Opakalim [inn]

5. 73h9j7rba2

6. Schembl21354674

7. Bhv7000

8. Bhv-7000

9. D13061

10. Butanamide, N-[6-cyano-1-(1,1-dimethylethyl)-4,7-difluoro-1h-benzimidazol-2-yl]-3,3-dimethyl-

11. N-[6-cyano-1-(1,1-dimethylethyl)-4,7-difluoro-1h-benzimidazol-2-yl]-3,3-dimethylbutanamide

2.4 Create Date

2019-11-02

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₂F₂N₄O
Molecular Weight	348.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	70.7
Heavy Atom Count	25
Formal Charge	0
Complexity	560
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