CAS 110963-63-8

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Chemistry

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Also known as: 110963-63-8, 1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazole, 1-(2-ethoxy-ethyl)-2-piperidin-4-yl-1h-benzimidazole, 1-(2-ethoxyethyl)-2-(4-piperidinyl)-1h-benzimidazole, 1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1h-benzo[d]imidazole oxalate, Schembl991263

Molecular Formula

C₁₆H₂₃N₃O

Molecular Weight

273.37 g/mol

InChI Key

YBJXRWANRTYCJE-UHFFFAOYSA-N

1 2D Structure

CAS 110963-63-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazole

2.1.2 InChI

InChI=1S/C16H23N3O/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

2.1.3 InChI Key

YBJXRWANRTYCJE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOCCN1C2=CC=CC=C2N=C1C3CCNCC3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 110963-63-8

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

3. 1-(2-ethoxy-ethyl)-2-piperidin-4-yl-1h-benzimidazole

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

5. 1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1h-benzo[d]imidazole Oxalate

6. Schembl991263

7. Amy23147

8. Bcp08770

9. Zinc34160220

10. Akos027383994

11. Ac-29251

12. Db-060051

13. Ft-0660492

14. 1-(2-ethoxyethyl)-2-piperidin-4-yl-1h-benzimidazole

15. 1-(2-ethoxyethyl)-2-piperidin-4-yl-1h-benzoimidazole

16. 1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1h-1,3-benzodiazole;1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1h-benzo[d]imidazole

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₃N₃O
Molecular Weight	273.37 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	273.184112366 g/mol
Monoisotopic Mass	273.184112366 g/mol
Topological Polar Surface Area	39.1 Å²
Heavy Atom Count	20
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	1