3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione

C15H17ClN2O4 — CID 51323249

IUPAC3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-2-3-11-14(19)18(15(20)17-11)8-9-6-10(16)13-12(7-9)21-4-5-22-13/h6-7,11H,2-5,8H2,1H3,(H,17,20)
InChIKeyZMALLPZNGGZUKF-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.33
Rot. Bonds4

About 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione

3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 51323249) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID51323249
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-2-3-11-14(19)18(15(20)17-11)8-9-6-10(16)13-12(7-9)21-4-5-22-13/h6-7,11H,2-5,8H2,1H3,(H,17,20)
InChIKeyZMALLPZNGGZUKF-UHFFFAOYSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-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

(3aR,7aS)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 30000940
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 17471317
4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine
CID 134055216
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
CID 78880606
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520488
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-3-amine
CID 62547412
3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 60673988
2-[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azetidin-3-yl]propanoic acid
CID 116683956
3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
CID 43135563
2-[(4R)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azepan-4-yl]acetic acid
CID 129489197
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid
CID 43440847

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione (CID 51323249) is 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O.
What is the InChIKey of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is ZMALLPZNGGZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-2-3-11-14(19)18(15(20)17-11)8-9-6-10(16)13-12(7-9)21-4-5-22-13/h6-7,11H,2-5,8H2,1H3,(H,17,20).
What are the key properties of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 324.76 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 51323249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).