(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

C20H18F2N2O4 — CID 7801344

IUPAC(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C20H18F2N2O4/c1-11(25)12-4-7-17(28-3)13(8-12)10-24-18(26)20(2,23-19(24)27)15-9-14(21)5-6-16(15)22/h4-9H,10H2,1-3H3,(H,23,27)/t20-/m0/s1
InChIKeyVJEYZSOGXILBSH-FQEVSTJZSA-N
MW388.37 g/mol
LogP3.14
Rot. Bonds5

About (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 7801344) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID7801344
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C20H18F2N2O4/c1-11(25)12-4-7-17(28-3)13(8-12)10-24-18(26)20(2,23-19(24)27)15-9-14(21)5-6-16(15)22/h4-9H,10H2,1-3H3,(H,23,27)/t20-/m0/s1
InChIKeyVJEYZSOGXILBSH-FQEVSTJZSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2128781
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951367
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295
(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2633572
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801296
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 7801344) is (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O.
What is the InChIKey of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is VJEYZSOGXILBSH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c1-11(25)12-4-7-17(28-3)13(8-12)10-24-18(26)20(2,23-19(24)27)15-9-14(21)5-6-16(15)22/h4-9H,10H2,1-3H3,(H,23,27)/t20-/m0/s1.
What are the key properties of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 388.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7801344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).