1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

C20H17N3O3 — CID 24750738

IUPAC1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESC=Cc1ccc(CN2C(=O)C3(NC(=O)NC3=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C20H17N3O3/c1-3-13-5-7-14(8-6-13)11-23-16-9-4-12(2)10-15(16)20(18(23)25)17(24)21-19(26)22-20/h3-10H,1,11H2,2H3,(H2,21,22,24,26)
InChIKeyZODRLLIBMMCLQU-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.22
Rot. Bonds3

About 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24750738) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24750738
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESC=Cc1ccc(CN2C(=O)C3(NC(=O)NC3=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C20H17N3O3/c1-3-13-5-7-14(8-6-13)11-23-16-9-4-12(2)10-15(16)20(18(23)25)17(24)21-19(26)22-20/h3-10H,1,11H2,2H3,(H2,21,22,24,26)
InChIKeyZODRLLIBMMCLQU-UHFFFAOYSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.22
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 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24750738) is 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is C=Cc1ccc(CN2C(=O)C3(NC(=O)NC3=O)c3cc(C)ccc32)cc1.
What is the InChIKey of 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is ZODRLLIBMMCLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-3-13-5-7-14(8-6-13)11-23-16-9-4-12(2)10-15(16)20(18(23)25)17(24)21-19(26)22-20/h3-10H,1,11H2,2H3,(H2,21,22,24,26).
What are the key properties of 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 347.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-ethenylphenyl)methyl]-5'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24750738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).