(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione

C11H12N2O3 — CID 708719

IUPAC(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
SMILESCCOc1ccc([C@@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C11H12N2O3/c1-2-16-8-5-3-7(4-6-8)9-10(14)13-11(15)12-9/h3-6,9H,2H2,1H3,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyZURKIBNDQWNNDN-VIFPVBQESA-N
MW220.23 g/mol
LogP0.97
Rot. Bonds3

About (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione

(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione (PubChem CID 708719) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
PubChem CID708719
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
SMILESCCOc1ccc([C@@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C11H12N2O3/c1-2-16-8-5-3-7(4-6-8)9-10(14)13-11(15)12-9/h3-6,9H,2H2,1H3,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyZURKIBNDQWNNDN-VIFPVBQESA-N
XLogP0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
CID 141182513
5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 60693099
(4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione
CID 95988564
(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione
CID 141182500
propan-2-yl (4R)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 746979
4-(4-ethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 16955747
cyclohexyl (4S)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1099403
3-(4-ethoxyphenyl)piperazin-2-one
CID 62352288
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 7236372
4-(4-ethoxyphenyl)-6-(2-methylpropyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 16955749
(4S)-6-butyl-4-(4-ethoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 40854181

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione (CID 708719) is (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione is CCOc1ccc([C@@H]2NC(=O)NC2=O)cc1.
What is the InChIKey of (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is ZURKIBNDQWNNDN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-16-8-5-3-7(4-6-8)9-10(14)13-11(15)12-9/h3-6,9H,2H2,1H3,(H2,12,13,14,15)/t9-/m0/s1.
What are the key properties of (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione?
(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 708719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).