3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C19H18F2N2O4 — CID 155531209

IUPAC3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CC(O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C19H18F2N2O4/c1-19(11-3-6-13(27-2)7-4-11)17(25)23(18(26)22-19)10-16(24)14-8-5-12(20)9-15(14)21/h3-9,16,24H,10H2,1-2H3,(H,22,26)
InChIKeyVGDHCMGTODEDEX-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.47
Rot. Bonds5

About 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 155531209) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID155531209
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CC(O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C19H18F2N2O4/c1-19(11-3-6-13(27-2)7-4-11)17(25)23(18(26)22-19)10-16(24)14-8-5-12(20)9-15(14)21/h3-9,16,24H,10H2,1-2H3,(H,22,26)
InChIKeyVGDHCMGTODEDEX-UHFFFAOYSA-N
XLogP2.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 124624577
(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389748
3-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42982762
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95769523
3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155562908
(5R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione
CID 94385462
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
(5R)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 52537687
(5S)-3-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 52537686
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 155531209) is 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(CC(O)c3ccc(F)cc3F)C2=O)cc1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is VGDHCMGTODEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c1-19(11-3-6-13(27-2)7-4-11)17(25)23(18(26)22-19)10-16(24)14-8-5-12(20)9-15(14)21/h3-9,16,24H,10H2,1-2H3,(H,22,26).
What are the key properties of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 376.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155531209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).