5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C21H21Cl2N3O3S — CID 112805073

About 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 112805073) has the molecular formula C21H21Cl2N3O3S and a molecular weight of 466.39 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 112805073
• Molecular Formula: C21H21Cl2N3O3S
• Molecular Weight: 466.39 g/mol
• Exact Mass: 465.07
• IUPAC Name: 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• SMILES: CCC1c2ccsc2CCN1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
• InChI: InChI=1S/C21H21Cl2N3O3S/c1-3-16-13-7-9-30-17(13)6-8-25(16)18(27)11-26-19(28)21(2,24-20(26)29)14-5-4-12(22)10-15(14)23/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3,(H,24,29)
• InChIKey: UUKFJEBGFIOXEM-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.39
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 112805073) is 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCC1c2ccsc2CCN1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O.

What is the InChIKey of 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is UUKFJEBGFIOXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3S/c1-3-16-13-7-9-30-17(13)6-8-25(16)18(27)11-26-19(28)21(2,24-20(26)29)14-5-4-12(22)10-15(14)23/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3,(H,24,29).

What are the key properties of 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 466.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 112805073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).