5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C16H21FN2O4S — CID 47057013

IUPAC5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C16H21FN2O4S/c1-3-4-9-16(12-5-7-13(17)8-6-12)14(20)19(15(21)18-16)10-11-24(2,22)23/h5-8H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyHQVBFTQCURWPTO-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.81
Rot. Bonds7

About 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 47057013) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID47057013
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C16H21FN2O4S/c1-3-4-9-16(12-5-7-13(17)8-6-12)14(20)19(15(21)18-16)10-11-24(2,22)23/h5-8H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyHQVBFTQCURWPTO-UHFFFAOYSA-N
XLogP1.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.81
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-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 7620277
4-[2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 42976471
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42898744
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 47057013) is 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CCCCC1(c2ccc(F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O.
What is the InChIKey of 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is HQVBFTQCURWPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-3-4-9-16(12-5-7-13(17)8-6-12)14(20)19(15(21)18-16)10-11-24(2,22)23/h5-8H,3-4,9-11H2,1-2H3,(H,18,21).
What are the key properties of 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 356.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-(4-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 47057013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).