(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione

C20H21FN2O3 — CID 7181227

IUPAC(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C20H21FN2O3/c1-3-20(15-6-8-16(21)9-7-15)18(24)23(19(25)22-20)12-13-26-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyJABXMIXSYGSDBT-FQEVSTJZSA-N
MW356.40 g/mol
LogP3.37
Rot. Bonds6

About (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione

(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 7181227) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID7181227
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C20H21FN2O3/c1-3-20(15-6-8-16(21)9-7-15)18(24)23(19(25)22-20)12-13-26-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyJABXMIXSYGSDBT-FQEVSTJZSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 112774127
4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 30804847
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
(5S)-3-(2-ethoxyethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8521699
5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181009
(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
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
(5R)-5-benzyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7240283
ethyl 2-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425553

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione (CID 7181227) is (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(C)cc2)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is JABXMIXSYGSDBT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-20(15-6-8-16(21)9-7-15)18(24)23(19(25)22-20)12-13-26-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 356.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7181227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).