5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione

C15H16F2N2O4S — CID 78827283

IUPAC5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O
InChIInChI=1S/C15H16F2N2O4S/c1-15(10-4-5-10)12(20)19(14(21)18-15)8-9-2-6-11(7-3-9)24(22,23)13(16)17/h2-3,6-7,10,13H,4-5,8H2,1H3,(H,18,21)
InChIKeyGUORBWLZGLPXAB-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.90
Rot. Bonds5

About 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione

5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 78827283) has the molecular formula C15H16F2N2O4S and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID78827283
Molecular FormulaC15H16F2N2O4S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Name5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O
InChIInChI=1S/C15H16F2N2O4S/c1-15(10-4-5-10)12(20)19(14(21)18-15)8-9-2-6-11(7-3-9)24(22,23)13(16)17/h2-3,6-7,10,13H,4-5,8H2,1H3,(H,18,21)
InChIKeyGUORBWLZGLPXAB-UHFFFAOYSA-N
XLogP1.90
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.90
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

3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 78827274
(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
CID 99781725
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083
3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78878457
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 55360371
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
CID 78880606
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 84601768
5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 45174615
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 112828513
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774951
(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione (CID 78827283) is 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O.
What is the InChIKey of 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GUORBWLZGLPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S/c1-15(10-4-5-10)12(20)19(14(21)18-15)8-9-2-6-11(7-3-9)24(22,23)13(16)17/h2-3,6-7,10,13H,4-5,8H2,1H3,(H,18,21).
What are the key properties of 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione?
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 358.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 78827283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).