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CAS 110963-63-8 manufacturers and suppliers on PharmaCompass

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CAS 110963-63-8
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 Weight 273.37 g/mol
Molecular Formula C16H23N3O
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass273.184112366 g/mol
Monoisotopic Mass273.184112366 g/mol
Topological Polar Surface Area39.1 Ų
Heavy Atom Count20
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 Count1
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