5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

C17H13ClN4O3S — CID 51227978

About 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 51227978) has the molecular formula C17H13ClN4O3S and a molecular weight of 388.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 51227978
• Molecular Formula: C17H13ClN4O3S
• Molecular Weight: 388.84 g/mol
• Exact Mass: 388.04
• IUPAC Name: 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
• SMILES: CC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(-c3ccsc3)no2)C1=O
• InChI: InChI=1S/C17H13ClN4O3S/c1-17(11-2-4-12(18)5-3-11)15(23)22(16(24)20-17)8-13-19-14(21-25-13)10-6-7-26-9-10/h2-7,9H,8H2,1H3,(H,20,24)
• InChIKey: SDQMXUVBSMLBGB-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.84
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 51227978) is 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(-c3ccsc3)no2)C1=O.

What is the InChIKey of 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is SDQMXUVBSMLBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S/c1-17(11-2-4-12(18)5-3-11)15(23)22(16(24)20-17)8-13-19-14(21-25-13)10-6-7-26-9-10/h2-7,9H,8H2,1H3,(H,20,24).

What are the key properties of 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 388.84 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51227978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).