3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

C20H22N2O4 — CID 654421

IUPAC3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O4/c1-20(2)18(24)22(19(25)21-20)12-15(23)13-26-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,15,23H,12-13H2,1-2H3,(H,21,25)
InChIKeyXUTQNNVXBRNGBH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.42
Rot. Bonds6

About 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 654421) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID654421
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O4/c1-20(2)18(24)22(19(25)21-20)12-15(23)13-26-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,15,23H,12-13H2,1-2H3,(H,21,25)
InChIKeyXUTQNNVXBRNGBH-UHFFFAOYSA-N
XLogP2.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 654421) is 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)COc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XUTQNNVXBRNGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-20(2)18(24)22(19(25)21-20)12-15(23)13-26-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,15,23H,12-13H2,1-2H3,(H,21,25).
What are the key properties of 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-phenylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 654421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).