CAS No 1231930-42-9

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 24 Related Intermediates

3 Suppliers
3 End Use APIs
24 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 1231930-42-9, 1h-benzimidazole, 6-(2-chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-, 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1h-1,3-benzodiazole, 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole, Mfcd25977328, 6-(2-chloro-5-fluoro-pyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1h-benzoimidazole

Molecular Formula

C₁₅H₁₃ClF₂N₄

Molecular Weight

322.74 g/mol

InChI Key

BDVDXNYOCBUMNP-UHFFFAOYSA-N

1 2D Structure

CAS No 1231930-42-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole

2.1.2 InChI

InChI=1S/C15H13ClF2N4/c1-7(2)22-8(3)20-14-10(17)4-9(5-12(14)22)13-11(18)6-19-15(16)21-13/h4-7H,1-3H3

2.1.3 InChI Key

BDVDXNYOCBUMNP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC2=C(N1C(C)C)C=C(C=C2F)C3=NC(=NC=C3F)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1231930-42-9

2. 1h-benzimidazole, 6-(2-chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-

3. 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1h-1,3-benzodiazole

4. 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole

5. Mfcd25977328

6. 6-(2-chloro-5-fluoro-pyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1h-benzoimidazole

7. Schembl2514899

8. Bdvdxnyocbumnp-uhfffaoysa-n

9. Dtxsid101123650

10. Amy25497

11. Bcp14268

12. Cs-m2091

13. Akos025404844

14. Ds-8917

15. Sb40589

16. 6-(2-chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-1-isopropyl-2-methylbenzimidazole

17. Ac-30668

18. Sy100166

19. Db-107810

20. P16605

21. A890840

22. 6-(2-chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-1h-benzimidazole

23. 6-(2-chloro-5-fluoro-pyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-benzimidazole

24. 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1,3-benzodiazole

25. 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-(propan-2-yl)-1h-1,3-benzimidazole

2.3 Create Date

2014-10-10

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₃ClF₂N₄
Molecular Weight	322.74 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.6
Heavy Atom Count	22
Formal Charge	0
Complexity	400
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