953071-73-3

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 39 Related Intermediates

1 Suppliers
1 End Use APIs
39 Related Intermediates

Chemistry

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Also known as: 953071-73-3, Bilastine impurity 1, Tert-butyl 4-(1h-benzimidazol-2-yl)piperidine-1-carboxylate, 4-(1h-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester, Tert-butyl 4-(1h-1,3-benzodiazol-2-yl)piperidine-1-carboxylate, Mfcd20485688

Molecular Formula

C₁₇H₂₃N₃O₂

Molecular Weight

301.4 g/mol

InChI Key

KDZVWRLDUPCQJD-UHFFFAOYSA-N

FDA UNII

JKQ8WG2VKU

1 2D Structure

953071-73-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-10-8-12(9-11-20)15-18-13-6-4-5-7-14(13)19-15/h4-7,12H,8-11H2,1-3H3,(H,18,19)

2.1.3 InChI Key

KDZVWRLDUPCQJD-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

JKQ8WG2VKU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 953071-73-3

2. Bilastine Impurity 1

3. Tert-butyl 4-(1h-benzimidazol-2-yl)piperidine-1-carboxylate

4. 4-(1h-benzoimidazol-2-yl)-piperidine-1-carboxylic Acid Tert-butyl Ester

5. Tert-butyl 4-(1h-1,3-benzodiazol-2-yl)piperidine-1-carboxylate

6. Mfcd20485688

7. Starbld0017943

8. Jkq8wg2vku

9. Schembl992227

10. Kdzvwrldupcqjd-uhfffaoysa-n

11. Bcp11450

12. Akos027257497

13. Ft46131

14. Da-00242

15. Ks-10690

16. Cs-0057908

17. F82229

18. N-boc-4-(1h-benzo[d]imidazol-2-yl)piperidine

19. 1-boc-4-(1h-1,3-benzodiazol-2-yl)piperidine

20. T-butyl 4-(1h-benzo[d]imidazol-2-yl)piperidine-1-carboxylate

21. 1,1-dimethylethyl 4-(1h-benzimidazol-2-yl)-1-piperidinecarboxylate

22. 1-piperidinecarboxylic Acid, 4-(1h-benzimidazol-2-yl)-, 1,1-dimethylethyl Ester

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₃N₃O₂
Molecular Weight	301.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	58.2
Heavy Atom Count	22
Formal Charge	0
Complexity	399
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