(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione

C20H19BrCl2N2O2 — CID 59075288

About (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione

(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione (PubChem CID 59075288) has the molecular formula C20H19BrCl2N2O2 and a molecular weight of 470.19 g/mol. Its IUPAC name is (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione
• PubChem CID: 59075288
• Molecular Formula: C20H19BrCl2N2O2
• Molecular Weight: 470.19 g/mol
• Exact Mass: 468.00
• IUPAC Name: (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione
• SMILES: CCCN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]1(C)Cc1ccc(Br)cc1
• InChI: InChI=1S/C20H19BrCl2N2O2/c1-3-8-24-19(27)25(17-10-15(22)9-16(23)11-17)18(26)20(24,2)12-13-4-6-14(21)7-5-13/h4-7,9-11H,3,8,12H2,1-2H3/t20-/m0/s1
• InChIKey: IKCLYCRXMCTHPR-FQEVSTJZSA-N
• XLogP: 5.94
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.19
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione (CID 59075288) is (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione is CCCN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]1(C)Cc1ccc(Br)cc1.

What is the InChIKey of (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione?

The InChIKey is IKCLYCRXMCTHPR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19BrCl2N2O2/c1-3-8-24-19(27)25(17-10-15(22)9-16(23)11-17)18(26)20(24,2)12-13-4-6-14(21)7-5-13/h4-7,9-11H,3,8,12H2,1-2H3/t20-/m0/s1.

What are the key properties of (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione?

(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione has a molecular weight of 470.19 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione is sourced from PubChem (CID 59075288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).