(5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione

C23H26N2O5 — CID 99781619

IUPAC(5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1[C@H]1NC(=O)N(Cc2cccc(COC3CCOCC3)c2)C1=O
InChIInChI=1S/C23H26N2O5/c1-28-20-8-3-2-7-19(20)21-22(26)25(23(27)24-21)14-16-5-4-6-17(13-16)15-30-18-9-11-29-12-10-18/h2-8,13,18,21H,9-12,14-15H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyBMKFLOQRNDZSSB-OAQYLSRUSA-N
MW410.47 g/mol
LogP3.18
Rot. Bonds7

About (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione

(5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 99781619) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID99781619
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1[C@H]1NC(=O)N(Cc2cccc(COC3CCOCC3)c2)C1=O
InChIInChI=1S/C23H26N2O5/c1-28-20-8-3-2-7-19(20)21-22(26)25(23(27)24-21)14-16-5-4-6-17(13-16)15-30-18-9-11-29-12-10-18/h2-8,13,18,21H,9-12,14-15H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyBMKFLOQRNDZSSB-OAQYLSRUSA-N
XLogP3.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]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 (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 99781619) is (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione is COc1ccccc1[C@H]1NC(=O)N(Cc2cccc(COC3CCOCC3)c2)C1=O.
What is the InChIKey of (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is BMKFLOQRNDZSSB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-20-8-3-2-7-19(20)21-22(26)25(23(27)24-21)14-16-5-4-6-17(13-16)15-30-18-9-11-29-12-10-18/h2-8,13,18,21H,9-12,14-15H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione?
(5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methoxyphenyl)-3-[[3-(oxan-4-yloxymethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99781619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).