(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione

C12H12F2N2O2 — CID 92799825

IUPAC(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C12H12F2N2O2/c1-3-16-10(17)12(2,15-11(16)18)7-4-5-8(13)9(14)6-7/h4-6H,3H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyYLFVSBOZYOWGQU-LBPRGKRZSA-N
MW254.24 g/mol
LogP1.75
Rot. Bonds2

About (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione

(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 92799825) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID92799825
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C12H12F2N2O2/c1-3-16-10(17)12(2,15-11(16)18)7-4-5-8(13)9(14)6-7/h4-6H,3H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyYLFVSBOZYOWGQU-LBPRGKRZSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
CID 41075308
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 46641129
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 25437321
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 24520507
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 47094539

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione (CID 92799825) is (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione is CCN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is YLFVSBOZYOWGQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-3-16-10(17)12(2,15-11(16)18)7-4-5-8(13)9(14)6-7/h4-6H,3H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione?
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 254.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 92799825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).