(5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

C16H21N3O3 — CID 6577948

IUPAC(5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C16H21N3O3/c20-15-14(12-13-4-2-1-3-5-13)17-16(21)19(15)7-6-18-8-10-22-11-9-18/h1-5,14H,6-12H2,(H,17,21)/t14-/m0/s1
InChIKeyLFGSCEHQMJXJHM-AWEZNQCLSA-N
MW303.36 g/mol
LogP0.48
Rot. Bonds5

About (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

(5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 6577948) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
PubChem CID6577948
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C16H21N3O3/c20-15-14(12-13-4-2-1-3-5-13)17-16(21)19(15)7-6-18-8-10-22-11-9-18/h1-5,14H,6-12H2,(H,17,21)/t14-/m0/s1
InChIKeyLFGSCEHQMJXJHM-AWEZNQCLSA-N
XLogP0.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (CID 6577948) is (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCN1CCOCC1.
What is the InChIKey of (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The InChIKey is LFGSCEHQMJXJHM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-14(12-13-4-2-1-3-5-13)17-16(21)19(15)7-6-18-8-10-22-11-9-18/h1-5,14H,6-12H2,(H,17,21)/t14-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
(5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 6577948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).