1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoate

2.1.2 InChI

InChI=1S/C29H39N3O3/c1-5-35-21-20-32-26-9-7-6-8-25(26)30-27(32)23-15-18-31(19-16-23)17-14-22-10-12-24(13-11-22)29(2,3)28(33)34-4/h6-13,23H,5,14-21H2,1-4H3

2.1.3 InChI Key

AWUXQUVYMUBJSG-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1181267-38-8

2. Methyl 2-(4-(2-(4-(1-(2-ethoxyethyl)-1h-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoate

3. Schembl3793927

4. Schembl29506217

5. Awuxquvymubjsg-uhfffaoysa-n

6. Mfcd20267178

7. Methyl 2-[4-[2-[4-[1-(2-ethoxyethyl)-2-benzimidazolyl]-1-piperidyl]ethyl]phenyl]-2-methylpropanoate

8. Sy390816

9. H42889

10. 2-[4-(2-{4-[1-(2-ethoxy-ethyl)-1h-benzoimidazol-2-yl]-piperidin-1-yl}-ethyl)-phenyl]-2-methyl-propionic Acid Methylester

2.3 Create Date

2010-05-03

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₉N₃O₃
Molecular Weight	477.6 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	56.6
Heavy Atom Count	35
Formal Charge	0
Complexity	656
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

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