(5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione

C12H14N2O3 — CID 58733901

IUPAC(5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione
SMILESC[C@H](O[C@H]1C(=O)NC(=O)N1C)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-8(9-6-4-3-5-7-9)17-11-10(15)13-12(16)14(11)2/h3-8,11H,1-2H3,(H,13,15,16)/t8-,11-/m0/s1
InChIKeyQJVDLAKICLACHE-KWQFWETISA-N
MW234.25 g/mol
LogP1.27
Rot. Bonds3

About (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione

(5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione (PubChem CID 58733901) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione
PubChem CID58733901
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione
SMILESC[C@H](O[C@H]1C(=O)NC(=O)N1C)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-8(9-6-4-3-5-7-9)17-11-10(15)13-12(16)14(11)2/h3-8,11H,1-2H3,(H,13,15,16)/t8-,11-/m0/s1
InChIKeyQJVDLAKICLACHE-KWQFWETISA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
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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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione?
The IUPAC name of (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione (CID 58733901) is (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione is C[C@H](O[C@H]1C(=O)NC(=O)N1C)c1ccccc1.
What is the InChIKey of (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione?
The InChIKey is QJVDLAKICLACHE-KWQFWETISA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(9-6-4-3-5-7-9)17-11-10(15)13-12(16)14(11)2/h3-8,11H,1-2H3,(H,13,15,16)/t8-,11-/m0/s1.
What are the key properties of (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione?
(5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione has a molecular weight of 234.25 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 (5S)-1-methyl-5-[(1S)-1-phenylethoxy]imidazolidine-2,4-dione is sourced from PubChem (CID 58733901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).