3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione

C17H12ClN3O3 — CID 58017128

IUPAC3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESO=C1NC2(C(=O)Nc3ccc(Cl)cc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H12ClN3O3/c18-11-6-7-13-12(8-11)17(14(22)19-13)15(23)21(16(24)20-17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)(H,20,24)
InChIKeyYRNIOZGUVNYJIR-UHFFFAOYSA-N
MW341.75 g/mol
LogP2.24
Rot. Bonds2

About 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione

3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (PubChem CID 58017128) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.

Molecular Properties

Compound Name3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
PubChem CID58017128
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESO=C1NC2(C(=O)Nc3ccc(Cl)cc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H12ClN3O3/c18-11-6-7-13-12(8-11)17(14(22)19-13)15(23)21(16(24)20-17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)(H,20,24)
InChIKeyYRNIOZGUVNYJIR-UHFFFAOYSA-N
XLogP2.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The IUPAC name of 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (CID 58017128) is 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.
What is the SMILES notation for 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The canonical SMILES for 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is O=C1NC2(C(=O)Nc3ccc(Cl)cc32)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The InChIKey is YRNIOZGUVNYJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-11-6-7-13-12(8-11)17(14(22)19-13)15(23)21(16(24)20-17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)(H,20,24).
What are the key properties of 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione has a molecular weight of 341.75 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is sourced from PubChem (CID 58017128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).