(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione

C24H26BrCl2N3O2 — CID 59075315

About (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione

(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 59075315) has the molecular formula C24H26BrCl2N3O2 and a molecular weight of 539.30 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 59075315
• Molecular Formula: C24H26BrCl2N3O2
• Molecular Weight: 539.30 g/mol
• Exact Mass: 537.06
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione
• SMILES: CCN1CCC(N2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@]2(C)Cc2ccc(Br)cc2)CC1
• InChI: InChI=1S/C24H26BrCl2N3O2/c1-3-28-10-8-20(9-11-28)30-23(32)29(21-13-18(26)12-19(27)14-21)22(31)24(30,2)15-16-4-6-17(25)7-5-16/h4-7,12-14,20H,3,8-11,15H2,1-2H3/t24-/m1/s1
• InChIKey: DAVVZQGDSYASFK-XMMPIXPASA-N
• XLogP: 6.01
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.30
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione (CID 59075315) is (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione is CCN1CCC(N2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@]2(C)Cc2ccc(Br)cc2)CC1.

What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione?

The InChIKey is DAVVZQGDSYASFK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26BrCl2N3O2/c1-3-28-10-8-20(9-11-28)30-23(32)29(21-13-18(26)12-19(27)14-21)22(31)24(30,2)15-16-4-6-17(25)7-5-16/h4-7,12-14,20H,3,8-11,15H2,1-2H3/t24-/m1/s1.

What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione?

(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 539.30 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59075315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).