(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C19H19FN2O3 — CID 94811615

IUPAC(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-9-7-14(8-10-15)17(23)12-22-18(24)16(21-19(22)25)11-6-13-4-2-1-3-5-13/h1-5,7-10,16-17,23H,6,11-12H2,(H,21,25)/t16-,17-/m0/s1
InChIKeyONMHONJOTCOOCC-IRXDYDNUSA-N
MW342.37 g/mol
LogP2.41
Rot. Bonds6

About (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 94811615) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID94811615
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-9-7-14(8-10-15)17(23)12-22-18(24)16(21-19(22)25)11-6-13-4-2-1-3-5-13/h1-5,7-10,16-17,23H,6,11-12H2,(H,21,25)/t16-,17-/m0/s1
InChIKeyONMHONJOTCOOCC-IRXDYDNUSA-N
XLogP2.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 94811615) is (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is ONMHONJOTCOOCC-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-9-7-14(8-10-15)17(23)12-22-18(24)16(21-19(22)25)11-6-13-4-2-1-3-5-13/h1-5,7-10,16-17,23H,6,11-12H2,(H,21,25)/t16-,17-/m0/s1.
What are the key properties of (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 342.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 94811615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).