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2D Structure
Also known as: 83763-15-9, Ethyl 4-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)-3,6-dihydro-2h-pyridine-1-carboxylate, 87f98555ka, Einecs 280-699-9, Unii-87f98555ka, Dtxsid00232607
Molecular Formula
C15H17N3O3
Molecular Weight
287.31  g/mol
InChI Key
ZDMLTXBNJOAXBY-UHFFFAOYSA-N
FDA UNII
87F98555KA

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
2.1.2 InChI
InChI=1S/C15H17N3O3/c1-2-21-15(20)17-9-7-11(8-10-17)18-13-6-4-3-5-12(13)16-14(18)19/h3-7H,2,8-10H2,1H3,(H,16,19)
2.1.3 InChI Key
ZDMLTXBNJOAXBY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)N1CCC(=CC1)N2C3=CC=CC=C3NC2=O
2.2 Other Identifiers
2.2.1 UNII
87F98555KA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 83763-15-9

2. Ethyl 4-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)-3,6-dihydro-2h-pyridine-1-carboxylate

3. 87f98555ka

4. Einecs 280-699-9

5. Unii-87f98555ka

6. Dtxsid00232607

7. Q27269824

8. 1(2h)-pyridinecarboxylic Acid, 4-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)-3,6-dihydro-, Ethyl Ester

9. 4-[(2,3-dihydro-2-oxo-1h-benzimidazol)-1-yl]-3,6-dihydro-1(2h)-pyridinecarboxylic Acid Ethyl Ester

10. Ethyl-3,6-dihydro-4-(2,3-dihydro-2-oxo-1h-benzimidazole-1-yl)-1(2h)pyridinecarboxylate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 287.31 g/mol
Molecular Formula C15H17N3O3
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass287.12699141 g/mol
Monoisotopic Mass287.12699141 g/mol
Topological Polar Surface Area61.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1