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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

CAS No 1231930-42-9
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 Weight 322.74 g/mol
Molecular Formula C15H13ClF2N4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area43.6
Heavy Atom Count22
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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01

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Virtual BoothShandong Loncom is an R&D-focused manufacturer of Anti-cancer APIs.

6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1- is...

CAS Number : 1231930-42-9

End Use API :

About the Company : Established in May 2012, Shandong Loncom Pharmaceutical is a wholly owned subsidiary of Shandong Bestcomm Pharmaceutical Co., Ltd. Located in the Qihe Economic Development Zone, Shandon...

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BIO Partnering at JPM
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6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-iso...

CAS Number : 1231930-42-9

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About the Company : We are into manufacturing of bulk drug Intermediates and Active Pharmaceutical Ingredients (API). Our core competence is contract manufacturing for our clients who are looking for manuf...

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BIO Partnering at JPM
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1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidin...

CAS Number : 1231930-42-9

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About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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