1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

C20H17ClN2O2 — CID 102137047

IUPAC1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESC=Cc1ccc(CN2C(=O)N(Cl)C3(Cc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C20H17ClN2O2/c1-2-14-7-9-15(10-8-14)13-22-18(24)20(23(21)19(22)25)11-16-5-3-4-6-17(16)12-20/h2-10H,1,11-13H2
InChIKeyFYDWEYCGYMLRCC-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.79
Rot. Bonds3

About 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (PubChem CID 102137047) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
PubChem CID102137047
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESC=Cc1ccc(CN2C(=O)N(Cl)C3(Cc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C20H17ClN2O2/c1-2-14-7-9-15(10-8-14)13-22-18(24)20(23(21)19(22)25)11-16-5-3-4-6-17(16)12-20/h2-10H,1,11-13H2
InChIKeyFYDWEYCGYMLRCC-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-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 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (CID 102137047) is 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is C=Cc1ccc(CN2C(=O)N(Cl)C3(Cc4ccccc4C3)C2=O)cc1.
What is the InChIKey of 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is FYDWEYCGYMLRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-2-14-7-9-15(10-8-14)13-22-18(24)20(23(21)19(22)25)11-16-5-3-4-6-17(16)12-20/h2-10H,1,11-13H2.
What are the key properties of 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 352.82 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-chloro-3'-[(4-ethenylphenyl)methyl]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 102137047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).