(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione

C26H26ClN3O3 — CID 51556398

IUPAC(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCN(CCOc1cccc(Cl)c1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H26ClN3O3/c1-29(15-16-33-23-14-8-13-22(27)17-23)19-30-24(31)26(28-25(30)32,21-11-6-3-7-12-21)18-20-9-4-2-5-10-20/h2-14,17H,15-16,18-19H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyOZBTZFVDKDRVDJ-AREMUKBSSA-N
MW463.97 g/mol
LogP4.30
Rot. Bonds9

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

(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 51556398) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID51556398
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCN(CCOc1cccc(Cl)c1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H26ClN3O3/c1-29(15-16-33-23-14-8-13-22(27)17-23)19-30-24(31)26(28-25(30)32,21-11-6-3-7-12-21)18-20-9-4-2-5-10-20/h2-14,17H,15-16,18-19H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyOZBTZFVDKDRVDJ-AREMUKBSSA-N
XLogP4.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 41142324
2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988
5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione
CID 42998311
(5R)-5-benzyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7240283
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9460374
(5R)-5-benzyl-3-[2-(2-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7637564
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 18079393
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
2-(3-chlorophenoxy)-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 131891193

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione (CID 51556398) is (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione is CN(CCOc1cccc(Cl)c1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is OZBTZFVDKDRVDJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-29(15-16-33-23-14-8-13-22(27)17-23)19-30-24(31)26(28-25(30)32,21-11-6-3-7-12-21)18-20-9-4-2-5-10-20/h2-14,17H,15-16,18-19H2,1H3,(H,28,32)/t26-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 463.97 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 51556398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).