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 Formula	C₁₅H₁₇N₃O₃
Molecular Weight	287.31 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	287.12699141 g/mol
Monoisotopic Mass	287.12699141 g/mol
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	463
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

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