1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione

C24H20F2N2O4S — CID 112828513

IUPAC1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C24H20F2N2O4S/c25-23(26)33(31,32)20-13-11-18(12-14-20)16-28-22(29)21(19-9-5-2-6-10-19)27(24(28)30)15-17-7-3-1-4-8-17/h1-14,21,23H,15-16H2
InChIKeyAITIPRHQUXFVJT-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.39
Rot. Bonds7

About 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione

1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 112828513) has the molecular formula C24H20F2N2O4S and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID112828513
Molecular FormulaC24H20F2N2O4S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C24H20F2N2O4S/c25-23(26)33(31,32)20-13-11-18(12-14-20)16-28-22(29)21(19-9-5-2-6-10-19)27(24(28)30)15-17-7-3-1-4-8-17/h1-14,21,23H,15-16H2
InChIKeyAITIPRHQUXFVJT-UHFFFAOYSA-N
XLogP4.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione (CID 112828513) is 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione is O=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is AITIPRHQUXFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O4S/c25-23(26)33(31,32)20-13-11-18(12-14-20)16-28-22(29)21(19-9-5-2-6-10-19)27(24(28)30)15-17-7-3-1-4-8-17/h1-14,21,23H,15-16H2.
What are the key properties of 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 470.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 112828513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).