(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C25H21FN2O4 — CID 41097205

IUPAC(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C25H21FN2O4/c1-32-22-13-12-19(26)14-20(22)21(29)16-28-23(30)25(27-24(28)31,18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyRTZRRHDJHRGNJV-VWLOTQADSA-N
MW432.45 g/mol
LogP3.71
Rot. Bonds7

About (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 41097205) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID41097205
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Name(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C25H21FN2O4/c1-32-22-13-12-19(26)14-20(22)21(29)16-28-23(30)25(27-24(28)31,18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyRTZRRHDJHRGNJV-VWLOTQADSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.71
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

(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 42986255
(5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 40844525
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
(5R)-5-benzyl-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7637584
(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8521765
5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 17410774
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
(5S,6S)-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181524
3'-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 17428646
(4S)-3'-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771456
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 41097205) is (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is RTZRRHDJHRGNJV-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-32-22-13-12-19(26)14-20(22)21(29)16-28-23(30)25(27-24(28)31,18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H,27,31)/t25-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 432.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41097205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).