3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C25H32N2O4 — CID 55410209

IUPAC3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1cc(C(C)(C)C)ccc1OCC(O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C25H32N2O4/c1-17-14-19(25(2,3)4)11-13-22(17)31-16-20(28)15-27-23(29)21(26-24(27)30)12-10-18-8-6-5-7-9-18/h5-9,11,13-14,20-21,28H,10,12,15-16H2,1-4H3,(H,26,30)
InChIKeyWXGHVLKYPZNYSL-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.59
Rot. Bonds8

About 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 55410209) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID55410209
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1cc(C(C)(C)C)ccc1OCC(O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C25H32N2O4/c1-17-14-19(25(2,3)4)11-13-22(17)31-16-20(28)15-27-23(29)21(26-24(27)30)12-10-18-8-6-5-7-9-18/h5-9,11,13-14,20-21,28H,10,12,15-16H2,1-4H3,(H,26,30)
InChIKeyWXGHVLKYPZNYSL-UHFFFAOYSA-N
XLogP3.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
(5S)-3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5-prop-2-ynylimidazolidine-2,4-dione
CID 100632219
3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
CID 42942556
(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 94811615
(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2086476
1-[(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-3-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-6-methylpyrimidine-2,4-dione
CID 98368675
(5R)-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570355
2-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18205470
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-methylpyrimidine-2,4-dione
CID 42888829
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796667
1-(4-tert-butyl-2-methylphenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 110020038
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 55410209) is 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is Cc1cc(C(C)(C)C)ccc1OCC(O)CN1C(=O)NC(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is WXGHVLKYPZNYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17-14-19(25(2,3)4)11-13-22(17)31-16-20(28)15-27-23(29)21(26-24(27)30)12-10-18-8-6-5-7-9-18/h5-9,11,13-14,20-21,28H,10,12,15-16H2,1-4H3,(H,26,30).
What are the key properties of 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 424.54 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 55410209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).