3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C18H26N2O4 — CID 51222984

IUPAC3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCC(O)CN2C(=O)NC(CC(C)C)C2=O)c1
InChIInChI=1S/C18H26N2O4/c1-11(2)5-16-17(22)20(18(23)19-16)9-14(21)10-24-15-7-12(3)6-13(4)8-15/h6-8,11,14,16,21H,5,9-10H2,1-4H3,(H,19,23)
InChIKeyVWIAHCWULIOLGL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.01
Rot. Bonds7

About 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 51222984) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID51222984
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCC(O)CN2C(=O)NC(CC(C)C)C2=O)c1
InChIInChI=1S/C18H26N2O4/c1-11(2)5-16-17(22)20(18(23)19-16)9-14(21)10-24-15-7-12(3)6-13(4)8-15/h6-8,11,14,16,21H,5,9-10H2,1-4H3,(H,19,23)
InChIKeyVWIAHCWULIOLGL-UHFFFAOYSA-N
XLogP2.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.01
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

(5S)-3-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570548
(5R)-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570526
(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570523
(5R)-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570355
(7aR)-2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 94182311
5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 42942558
(5S)-3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5-prop-2-ynylimidazolidine-2,4-dione
CID 100632219
2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one
CID 110929790
2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
CID 82149112
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373
3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
CID 42942556

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 51222984) is 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is Cc1cc(C)cc(OCC(O)CN2C(=O)NC(CC(C)C)C2=O)c1.
What is the InChIKey of 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is VWIAHCWULIOLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-11(2)5-16-17(22)20(18(23)19-16)9-14(21)10-24-15-7-12(3)6-13(4)8-15/h6-8,11,14,16,21H,5,9-10H2,1-4H3,(H,19,23).
What are the key properties of 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 334.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51222984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).