5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione

C16H22N2O3 — CID 111476311

IUPAC5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-16(5-2)14(20)18(15(21)17-16)10-13(19)12-8-6-11(3)7-9-12/h6-9,13,19H,4-5,10H2,1-3H3,(H,17,21)
InChIKeyQFISOEQDFNHCBA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.14
Rot. Bonds5

About 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 111476311) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID111476311
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-16(5-2)14(20)18(15(21)17-16)10-13(19)12-8-6-11(3)7-9-12/h6-9,13,19H,4-5,10H2,1-3H3,(H,17,21)
InChIKeyQFISOEQDFNHCBA-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-3-[(2R)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571809
5,5-diethyl-3-[(2S)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571808
5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione
CID 51086545
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazolidine-2,4-dione
CID 42938170
3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 32519562
7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 111476758
5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181009
5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione
CID 31571826
5-ethyl-5-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)imidazolidine-2,4-dione
CID 17454359
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5,5-diethylimidazolidine-2,4-dione
CID 18086988
3-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385012
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 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione (CID 111476311) is 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(O)c2ccc(C)cc2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is QFISOEQDFNHCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-16(5-2)14(20)18(15(21)17-16)10-13(19)12-8-6-11(3)7-9-12/h6-9,13,19H,4-5,10H2,1-3H3,(H,17,21).
What are the key properties of 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 290.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 111476311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).