(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione

C24H21ClN2O3 — CID 41142324

IUPAC(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CCOc1cccc(Cl)c1
InChIInChI=1S/C24H21ClN2O3/c25-20-12-7-13-21(16-20)30-15-14-27-22(28)24(26-23(27)29,19-10-5-2-6-11-19)17-18-8-3-1-4-9-18/h1-13,16H,14-15,17H2,(H,26,29)/t24-/m0/s1
InChIKeyDHTKKFWRYMOVFH-DEOSSOPVSA-N
MW420.90 g/mol
LogP4.41
Rot. Bonds7

About (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 41142324) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID41142324
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CCOc1cccc(Cl)c1
InChIInChI=1S/C24H21ClN2O3/c25-20-12-7-13-21(16-20)30-15-14-27-22(28)24(26-23(27)29,19-10-5-2-6-11-19)17-18-8-3-1-4-9-18/h1-13,16H,14-15,17H2,(H,26,29)/t24-/m0/s1
InChIKeyDHTKKFWRYMOVFH-DEOSSOPVSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-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

Related Compounds

(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
CID 51556398
(5R)-5-benzyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7240283
(5R)-5-benzyl-3-[2-(2-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7637564
2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 18079393
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41111698
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione (CID 41142324) is (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione is O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CCOc1cccc(Cl)c1.
What is the InChIKey of (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is DHTKKFWRYMOVFH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-20-12-7-13-21(16-20)30-15-14-27-22(28)24(26-23(27)29,19-10-5-2-6-11-19)17-18-8-3-1-4-9-18/h1-13,16H,14-15,17H2,(H,26,29)/t24-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 420.90 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41142324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).