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

C12H13ClN2O3 — CID 95156461

IUPAC3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O
InChIInChI=1S/C12H13ClN2O3/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/t10-/m1/s1
InChIKeyZNHVJUYWJYDKMC-SNVBAGLBSA-N
MW268.70 g/mol
LogP1.27
Rot. Bonds3

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

3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 95156461) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
PubChem CID95156461
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O
InChIInChI=1S/C12H13ClN2O3/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/t10-/m1/s1
InChIKeyZNHVJUYWJYDKMC-SNVBAGLBSA-N
XLogP1.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.27
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-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
CID 60969409
(3aR,7aS)-2-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 94385491
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 94385512
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972535
3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972533
(1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol
CID 94083766
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 109411972
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione (CID 95156461) is 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O.
What is the InChIKey of 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is ZNHVJUYWJYDKMC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13ClN2O3/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/t10-/m1/s1.
What are the key properties of 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione?
3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 268.70 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95156461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).