5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione

C23H19FN2O3 — CID 167960826

IUPAC5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccc(Oc3cccc(F)c3)cc2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C23H19FN2O3/c1-25-21(14-16-6-3-2-4-7-16)22(27)26(23(25)28)18-10-12-19(13-11-18)29-20-9-5-8-17(24)15-20/h2-13,15,21H,14H2,1H3
InChIKeyVZEZIHYCJXXZKM-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.63
Rot. Bonds5

About 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione

5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione (PubChem CID 167960826) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione
PubChem CID167960826
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccc(Oc3cccc(F)c3)cc2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C23H19FN2O3/c1-25-21(14-16-6-3-2-4-7-16)22(27)26(23(25)28)18-10-12-19(13-11-18)29-20-9-5-8-17(24)15-20/h2-13,15,21H,14H2,1H3
InChIKeyVZEZIHYCJXXZKM-UHFFFAOYSA-N
XLogP4.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
3-(3-fluorophenyl)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 19846702
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide
CID 18416617
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 4568240
4-[4-benzyl-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 57422389
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide
CID 97156727
(5S)-5-benzyl-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10623254
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(4-phenoxyphenyl)-6,7,8,9a,10,10a-hexahydro-4aH-purino[7,8-a]pyrimidine-2,4-dione
CID 74680755
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276958
1-fluoro-3-(4-methylsulfanylphenoxy)benzene
CID 138722497

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione (CID 167960826) is 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione is CN1C(=O)N(c2ccc(Oc3cccc(F)c3)cc2)C(=O)C1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is VZEZIHYCJXXZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-25-21(14-16-6-3-2-4-7-16)22(27)26(23(25)28)18-10-12-19(13-11-18)29-20-9-5-8-17(24)15-20/h2-13,15,21H,14H2,1H3.
What are the key properties of 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione?
5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 390.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 167960826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).