(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride

C21H19Cl2N3O3S — CID 18936649

About (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride

(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride (PubChem CID 18936649) has the molecular formula C21H19Cl2N3O3S and a molecular weight of 464.37 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride
• PubChem CID: 18936649
• Molecular Formula: C21H19Cl2N3O3S
• Molecular Weight: 464.37 g/mol
• Exact Mass: 463.05
• IUPAC Name: (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride
• SMILES: Cl.O=C1O/C(=C\c2ccc(Cl)cc2)C(=O)N1CCCCSc1cccc2nccn12
• InChI: InChI=1S/C21H18ClN3O3S.ClH/c22-16-8-6-15(7-9-16)14-17-20(26)25(21(27)28-17)11-1-2-13-29-19-5-3-4-18-23-10-12-24(18)19;/h3-10,12,14H,1-2,11,13H2;1H/b17-14-
• InChIKey: VVLIEGFESLJCKO-SBBUSYCLSA-N
• XLogP: 5.30
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.37
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride?

The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride (CID 18936649) is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride?

The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride is Cl.O=C1O/C(=C\c2ccc(Cl)cc2)C(=O)N1CCCCSc1cccc2nccn12.

What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride?

The InChIKey is VVLIEGFESLJCKO-SBBUSYCLSA-N. The full InChI is InChI=1S/C21H18ClN3O3S.ClH/c22-16-8-6-15(7-9-16)14-17-20(26)25(21(27)28-17)11-1-2-13-29-19-5-3-4-18-23-10-12-24(18)19;/h3-10,12,14H,1-2,11,13H2;1H/b17-14-;.

What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride?

(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride has a molecular weight of 464.37 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 18936649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).