(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione

C26H22N2O5 — CID 41251117

IUPAC(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1C
InChIInChI=1S/C26H22N2O5/c1-16-8-10-20(12-17(16)2)26(19-6-4-3-5-7-19)24(30)28(25(31)27-26)14-21(29)18-9-11-22-23(13-18)33-15-32-22/h3-13H,14-15H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyFFTJETUPBFDADB-AREMUKBSSA-N
MW442.47 g/mol
LogP3.71
Rot. Bonds5

About (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione

(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 41251117) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
PubChem CID41251117
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1C
InChIInChI=1S/C26H22N2O5/c1-16-8-10-20(12-17(16)2)26(19-6-4-3-5-7-19)24(30)28(25(31)27-26)14-21(29)18-9-11-22-23(13-18)33-15-32-22/h3-13H,14-15H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyFFTJETUPBFDADB-AREMUKBSSA-N
XLogP3.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-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

(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9291310
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 24687542
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
N-(1,3-benzodioxol-5-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2369441
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049
5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 154775292
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41058914
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8673076
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione (CID 41251117) is (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione is Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1C.
What is the InChIKey of (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is FFTJETUPBFDADB-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-16-8-10-20(12-17(16)2)26(19-6-4-3-5-7-19)24(30)28(25(31)27-26)14-21(29)18-9-11-22-23(13-18)33-15-32-22/h3-13H,14-15H2,1-2H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 442.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41251117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).