CAS 1841081-72-8

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Chemistry

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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

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 Formula	C₁₆H₂₄ClN₃O
Molecular Weight	309.83 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	309.1607901 g/mol
Monoisotopic Mass	309.1607901 g/mol
Topological Polar Surface Area	39.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	293
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	2