3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione

C12H13FN2O3 — CID 42955349

IUPAC3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(O)c2ccccc2F)C1=O
InChIInChI=1S/C12H13FN2O3/c1-14-7-11(17)15(12(14)18)6-10(16)8-4-2-3-5-9(8)13/h2-5,10,16H,6-7H2,1H3
InChIKeyINOCUCNTTVGJSS-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.75
Rot. Bonds3

About 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione

3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 42955349) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
PubChem CID42955349
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(O)c2ccccc2F)C1=O
InChIInChI=1S/C12H13FN2O3/c1-14-7-11(17)15(12(14)18)6-10(16)8-4-2-3-5-9(8)13/h2-5,10,16H,6-7H2,1H3
InChIKeyINOCUCNTTVGJSS-UHFFFAOYSA-N
XLogP0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.75
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-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
CID 113463158
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylimidazolidin-2-one
CID 114059412
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
CID 60969409
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921257
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42946430
4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 34182694
2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one
CID 51728787

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione (CID 42955349) is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(O)c2ccccc2F)C1=O.
What is the InChIKey of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is INOCUCNTTVGJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-14-7-11(17)15(12(14)18)6-10(16)8-4-2-3-5-9(8)13/h2-5,10,16H,6-7H2,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 252.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42955349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).