(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione

C20H17BrN4O3 — CID 51931904

About (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione

(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 51931904) has the molecular formula C20H17BrN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 51931904
• Molecular Formula: C20H17BrN4O3
• Molecular Weight: 441.29 g/mol
• Exact Mass: 440.05
• IUPAC Name: (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
• SMILES: Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc(Br)c4)C3=O)no2)cc1
• InChI: InChI=1S/C20H17BrN4O3/c1-12-6-8-13(9-7-12)17-22-16(24-28-17)11-25-18(26)20(2,23-19(25)27)14-4-3-5-15(21)10-14/h3-10H,11H2,1-2H3,(H,23,27)/t20-/m0/s1
• InChIKey: ZAWGSPPVSRBZKU-FQEVSTJZSA-N
• XLogP: 3.77
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.29
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione (CID 51931904) is (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc(Br)c4)C3=O)no2)cc1.

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

The InChIKey is ZAWGSPPVSRBZKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17BrN4O3/c1-12-6-8-13(9-7-12)17-22-16(24-28-17)11-25-18(26)20(2,23-19(25)27)14-4-3-5-15(21)10-14/h3-10H,11H2,1-2H3,(H,23,27)/t20-/m0/s1.

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

(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 441.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51931904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).