(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione

C25H22N2O4 — CID 142653839

IUPAC(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione
SMILESO=C1[C@H](Cc2ccccc2)N(Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H22N2O4/c28-24-21(13-18-7-3-1-4-8-18)26(16-20-11-12-22-23(14-20)31-17-30-22)25(29)27(24)15-19-9-5-2-6-10-19/h1-12,14,21H,13,15-17H2/t21-/m0/s1
InChIKeyPUEZUARUMDTKML-NRFANRHFSA-N
MW414.46 g/mol
LogP3.99
Rot. Bonds6

About (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione

(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione (PubChem CID 142653839) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione
PubChem CID142653839
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione
SMILESO=C1[C@H](Cc2ccccc2)N(Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H22N2O4/c28-24-21(13-18-7-3-1-4-8-18)26(16-20-11-12-22-23(14-20)31-17-30-22)25(29)27(24)15-19-9-5-2-6-10-19/h1-12,14,21H,13,15-17H2/t21-/m0/s1
InChIKeyPUEZUARUMDTKML-NRFANRHFSA-N
XLogP3.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-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

(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione
CID 7343763
(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 142628164
(3aS,7aS)-2-(1,3-benzodioxol-5-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51530848
4-(1,3-benzodioxol-5-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5233992
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]-N-benzylacetamide
CID 74535414
3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 3862621
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 2979255
methyl 4-[3-[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]-2-oxopropyl]benzoate
CID 58257327
3-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-one
CID 57250326
3-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172654118
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione
CID 91899496
(3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91906010

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione (CID 142653839) is (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione is O=C1[C@H](Cc2ccccc2)N(Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione?
The InChIKey is PUEZUARUMDTKML-NRFANRHFSA-N. The full InChI is InChI=1S/C25H22N2O4/c28-24-21(13-18-7-3-1-4-8-18)26(16-20-11-12-22-23(14-20)31-17-30-22)25(29)27(24)15-19-9-5-2-6-10-19/h1-12,14,21H,13,15-17H2/t21-/m0/s1.
What are the key properties of (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione?
(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione has a molecular weight of 414.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione is sourced from PubChem (CID 142653839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).