3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C25H26N2O4 — CID 46796949

IUPAC3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C)c(OCC(O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C25H26N2O4/c1-16-8-9-17(2)22(12-16)31-15-21(28)14-27-23(29)25(3,26-24(27)30)20-11-10-18-6-4-5-7-19(18)13-20/h4-13,21,28H,14-15H2,1-3H3,(H,26,30)
InChIKeyNLNPRHNZYPQSOJ-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.66
Rot. Bonds6

About 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 46796949) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID46796949
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C)c(OCC(O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C25H26N2O4/c1-16-8-9-17(2)22(12-16)31-15-21(28)14-27-23(29)25(3,26-24(27)30)20-11-10-18-6-4-5-7-19(18)13-20/h4-13,21,28H,14-15H2,1-3H3,(H,26,30)
InChIKeyNLNPRHNZYPQSOJ-UHFFFAOYSA-N
XLogP3.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.66
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

3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 55409939
5-butyl-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086974
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17491461
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 18266768
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18087052
(5R)-5-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-5-methylimidazolidine-2,4-dione
CID 31570678
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 46796949) is 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is Cc1ccc(C)c(OCC(O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1.
What is the InChIKey of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is NLNPRHNZYPQSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-16-8-9-17(2)22(12-16)31-15-21(28)14-27-23(29)25(3,26-24(27)30)20-11-10-18-6-4-5-7-19(18)13-20/h4-13,21,28H,14-15H2,1-3H3,(H,26,30).
What are the key properties of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 418.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 46796949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).