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'}

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Related Compounds

4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 55622382
1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 55733051
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 78827283
1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 56684743
1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 55622254
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
CID 112803274
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
CID 78880606
1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-5-phenylimidazolidine-2,4-dione
CID 55733318
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 55733350
1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione
CID 60611151
(3S,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-4-phenylazetidin-2-one
CID 102439574
N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 55733110

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).