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

C20H21FN2O4 — CID 8571287

IUPAC(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C20H21FN2O4/c1-4-20(14-5-7-15(21)8-6-14)18(24)23(19(25)22-20)12-13-11-16(26-2)9-10-17(13)27-3/h5-11H,4,12H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyPGXUADYETSBMGL-FQEVSTJZSA-N
MW372.40 g/mol
LogP3.20
Rot. Bonds6

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

(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 8571287) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID8571287
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C20H21FN2O4/c1-4-20(14-5-7-15(21)8-6-14)18(24)23(19(25)22-20)12-13-11-16(26-2)9-10-17(13)27-3/h5-11H,4,12H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyPGXUADYETSBMGL-FQEVSTJZSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.20
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

5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608
(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 41307521
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 2107551
(5R)-3-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 6591239
(5R)-3-[(2,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181312
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 8571287) is (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(OC)ccc2OC)C1=O.
What is the InChIKey of (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is PGXUADYETSBMGL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-4-20(14-5-7-15(21)8-6-14)18(24)23(19(25)22-20)12-13-11-16(26-2)9-10-17(13)27-3/h5-11H,4,12H2,1-3H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 372.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 8571287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).