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

C18H13Cl2N3O3 — CID 69264709

IUPAC3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESCc1ccc2c(c1)C1(NC(=O)N(Cc3cccc(Cl)c3Cl)C1=O)C(=O)N2
InChIInChI=1S/C18H13Cl2N3O3/c1-9-5-6-13-11(7-9)18(15(24)21-13)16(25)23(17(26)22-18)8-10-3-2-4-12(19)14(10)20/h2-7H,8H2,1H3,(H,21,24)(H,22,26)
InChIKeyFQECZBVBMBWYTK-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.20
Rot. Bonds2

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

3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (PubChem CID 69264709) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.

Molecular Properties

Compound Name3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
PubChem CID69264709
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
SMILESCc1ccc2c(c1)C1(NC(=O)N(Cc3cccc(Cl)c3Cl)C1=O)C(=O)N2
InChIInChI=1S/C18H13Cl2N3O3/c1-9-5-6-13-11(7-9)18(15(24)21-13)16(25)23(17(26)22-18)8-10-3-2-4-12(19)14(10)20/h2-7H,8H2,1H3,(H,21,24)(H,22,26)
InChIKeyFQECZBVBMBWYTK-UHFFFAOYSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.20
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'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The IUPAC name of 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione (CID 69264709) is 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione.
What is the SMILES notation for 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The canonical SMILES for 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is Cc1ccc2c(c1)C1(NC(=O)N(Cc3cccc(Cl)c3Cl)C1=O)C(=O)N2.
What is the InChIKey of 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
The InChIKey is FQECZBVBMBWYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c1-9-5-6-13-11(7-9)18(15(24)21-13)16(25)23(17(26)22-18)8-10-3-2-4-12(19)14(10)20/h2-7H,8H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione?
3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione has a molecular weight of 390.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione is sourced from PubChem (CID 69264709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).