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Also known as: 1841081-72-8, 1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazole;hydrochloride, Mfcd29044890, Akos025396445, Ds-8706, Sb18243
Molecular Formula
C16H24ClN3O
Molecular Weight
309.83  g/mol
InChI Key
YOWRIDDXDCHTLL-UHFFFAOYSA-N

CAS 1841081-72-8
1 2D Structure

CAS 1841081-72-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazole;hydrochloride
2.1.2 InChI
InChI=1S/C16H23N3O.ClH/c1-2-20-12-11-19-15-6-4-3-5-14(15)18-16(19)13-7-9-17-10-8-13;/h3-6,13,17H,2,7-12H2,1H3;1H
2.1.3 InChI Key
YOWRIDDXDCHTLL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOCCN1C2=CC=CC=C2N=C1C3CCNCC3.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1841081-72-8

2. 1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazole;hydrochloride

3. Mfcd29044890

4. Akos025396445

5. Ds-8706

6. Sb18243

7. Db-086146

8. Cs-0161953

9. C73552

10. A921227

11. 1-(2-ethoxyethyl)-2-(4-piperidinyl)-1h-benzimidazole Hydrochloride

12. 1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1h-1,3-benzodiazole Hydrochloride

13. 1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1h-benzo[d]imidazole Hcl

14. 1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1h-benzo[d]imidazolehydrochloride

2.3 Create Date
2015-11-10
3 Chemical and Physical Properties
Molecular Weight 309.83 g/mol
Molecular Formula C16H24ClN3O
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass309.1607901 g/mol
Monoisotopic Mass309.1607901 g/mol
Topological Polar Surface Area39.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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