3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C19H18F2N2O4S — CID 78827274

IUPAC3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(Cc3ccc(S(=O)(=O)C(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H18F2N2O4S/c1-12-3-7-14(8-4-12)19(2)16(24)23(18(25)22-19)11-13-5-9-15(10-6-13)28(26,27)17(20)21/h3-10,17H,11H2,1-2H3,(H,22,25)
InChIKeyIYUPAQYRISWACP-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.96
Rot. Bonds5

About 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 78827274) has the molecular formula C19H18F2N2O4S and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID78827274
Molecular FormulaC19H18F2N2O4S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(Cc3ccc(S(=O)(=O)C(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H18F2N2O4S/c1-12-3-7-14(8-4-12)19(2)16(24)23(18(25)22-19)11-13-5-9-15(10-6-13)28(26,27)17(20)21/h3-10,17H,11H2,1-2H3,(H,22,25)
InChIKeyIYUPAQYRISWACP-UHFFFAOYSA-N
XLogP2.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 46435513
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 78827283
N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601218
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 17404717
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 4877614

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 78827274) is 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(Cc3ccc(S(=O)(=O)C(F)F)cc3)C2=O)cc1.
What is the InChIKey of 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is IYUPAQYRISWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4S/c1-12-3-7-14(8-4-12)19(2)16(24)23(18(25)22-19)11-13-5-9-15(10-6-13)28(26,27)17(20)21/h3-10,17H,11H2,1-2H3,(H,22,25).
What are the key properties of 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 408.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 78827274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).