3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione

C16H16N2O3 — CID 60969409

IUPAC3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C16H16N2O3/c1-17-10-15(20)18(16(17)21)9-14(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14,19H,9-10H2,1H3
InChIKeyXPTLUSMMTPNEKW-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.77
Rot. Bonds3

About 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione

3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione (PubChem CID 60969409) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
PubChem CID60969409
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C16H16N2O3/c1-17-10-15(20)18(16(17)21)9-14(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14,19H,9-10H2,1H3
InChIKeyXPTLUSMMTPNEKW-UHFFFAOYSA-N
XLogP1.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 95156461
1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
CID 80580603
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
CID 62963596
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-(2,3-dimethylpiperidin-1-yl)-1-naphthalen-2-ylethanol
CID 62122893
2-(2-hydroxy-2-naphthalen-2-ylethyl)pyridazin-3-one
CID 62849976
1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanol
CID 149143040
3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
CID 63769203
1-naphthalen-2-yl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 24784909
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione (CID 60969409) is 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(O)c2ccc3ccccc3c2)C1=O.
What is the InChIKey of 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is XPTLUSMMTPNEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-10-15(20)18(16(17)21)9-14(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione?
3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 284.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60969409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).