3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione

C23H26ClF2N3O4 — CID 42998312

About 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione

3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 42998312) has the molecular formula C23H26ClF2N3O4 and a molecular weight of 481.93 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 42998312
• Molecular Formula: C23H26ClF2N3O4
• Molecular Weight: 481.93 g/mol
• Exact Mass: 481.16
• IUPAC Name: 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
• SMILES: CN(CCOc1ccc(Cl)cc1)CN1C(=O)NC(C)(CCc2ccc(OC(F)F)cc2)C1=O
• InChI: InChI=1S/C23H26ClF2N3O4/c1-23(12-11-16-3-7-19(8-4-16)33-21(25)26)20(30)29(22(31)27-23)15-28(2)13-14-32-18-9-5-17(24)6-10-18/h3-10,21H,11-15H2,1-2H3,(H,27,31)
• InChIKey: YZGPEBUJNBPMMN-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.93
LogP ≤ 5	4.15
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 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione (CID 42998312) is 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione is CN(CCOc1ccc(Cl)cc1)CN1C(=O)NC(C)(CCc2ccc(OC(F)F)cc2)C1=O.

What is the InChIKey of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is YZGPEBUJNBPMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF2N3O4/c1-23(12-11-16-3-7-19(8-4-16)33-21(25)26)20(30)29(22(31)27-23)15-28(2)13-14-32-18-9-5-17(24)6-10-18/h3-10,21H,11-15H2,1-2H3,(H,27,31).

What are the key properties of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 481.93 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42998312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).