(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione

C16H12F2N2O3S — CID 7561979

IUPAC(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2cccs2)C1=O
InChIInChI=1S/C16H12F2N2O3S/c1-16(10-7-9(17)4-5-11(10)18)14(22)20(15(23)19-16)8-12(21)13-3-2-6-24-13/h2-7H,8H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeySPFKZMWWNPZMJJ-INIZCTEOSA-N
MW350.35 g/mol
LogP2.68
Rot. Bonds4

About (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione

(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 7561979) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
PubChem CID7561979
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Name(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2cccs2)C1=O
InChIInChI=1S/C16H12F2N2O3S/c1-16(10-7-9(17)4-5-11(10)18)14(22)20(15(23)19-16)8-12(21)13-3-2-6-24-13/h2-7H,8H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeySPFKZMWWNPZMJJ-INIZCTEOSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.68
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

(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
(5R)-5-(2,5-difluorophenyl)-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8597585
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7801414
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide
CID 55450329
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 51191064
6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 24584907
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9060172
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione (CID 7561979) is (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione is C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2cccs2)C1=O.
What is the InChIKey of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is SPFKZMWWNPZMJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-16(10-7-9(17)4-5-11(10)18)14(22)20(15(23)19-16)8-12(21)13-3-2-6-24-13/h2-7H,8H2,1H3,(H,19,23)/t16-/m0/s1.
What are the key properties of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 350.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7561979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).