3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

C26H34N2O4 — CID 18273144

IUPAC3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(O)COc3ccccc3C(C)(C)C)C2=O)cc1
InChIInChI=1S/C26H34N2O4/c1-17(2)18-11-13-19(14-12-18)26(6)23(30)28(24(31)27-26)15-20(29)16-32-22-10-8-7-9-21(22)25(3,4)5/h7-14,17,20,29H,15-16H2,1-6H3,(H,27,31)
InChIKeyKLJGMUBJYDCKQC-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.31
Rot. Bonds7

About 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 18273144) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID18273144
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(O)COc3ccccc3C(C)(C)C)C2=O)cc1
InChIInChI=1S/C26H34N2O4/c1-17(2)18-11-13-19(14-12-18)26(6)23(30)28(24(31)27-26)15-20(29)16-32-22-10-8-7-9-21(22)25(3,4)5/h7-14,17,20,29H,15-16H2,1-6H3,(H,27,31)
InChIKeyKLJGMUBJYDCKQC-UHFFFAOYSA-N
XLogP4.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.31
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-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 18266768
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796667
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595987
(5S)-3-[(2-fluorophenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595704
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 51259389
5-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)-5-methylimidazolidine-2,4-dione
CID 17478863
5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
CID 18086989

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (CID 18273144) is 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is CC(C)c1ccc(C2(C)NC(=O)N(CC(O)COc3ccccc3C(C)(C)C)C2=O)cc1.
What is the InChIKey of 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is KLJGMUBJYDCKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-17(2)18-11-13-19(14-12-18)26(6)23(30)28(24(31)27-26)15-20(29)16-32-22-10-8-7-9-21(22)25(3,4)5/h7-14,17,20,29H,15-16H2,1-6H3,(H,27,31).
What are the key properties of 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 438.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18273144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).