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

C24H15Cl2N3O4 — CID 20501035

IUPAC1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)N1C(=O)c1ccccc1
InChIInChI=1S/C24H15Cl2N3O4/c25-17-11-10-14(12-18(17)26)13-28-19-9-5-4-8-16(19)24(22(28)32)21(31)27-23(33)29(24)20(30)15-6-2-1-3-7-15/h1-12H,13H2,(H,27,31,33)
InChIKeyKBTATOSXVBMNRM-UHFFFAOYSA-N
MW480.31 g/mol
LogP4.13
Rot. Bonds3

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

1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 20501035) has the molecular formula C24H15Cl2N3O4 and a molecular weight of 480.31 g/mol. Its IUPAC name is 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID20501035
Molecular FormulaC24H15Cl2N3O4
Molecular Weight480.31 g/mol
Exact Mass479.04
IUPAC Name1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)N1C(=O)c1ccccc1
InChIInChI=1S/C24H15Cl2N3O4/c25-17-11-10-14(12-18(17)26)13-28-19-9-5-4-8-16(19)24(22(28)32)21(31)27-23(33)29(24)20(30)15-6-2-1-3-7-15/h1-12H,13H2,(H,27,31,33)
InChIKeyKBTATOSXVBMNRM-UHFFFAOYSA-N
XLogP4.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 20501035) is 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione is O=C1NC(=O)C2(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is KBTATOSXVBMNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O4/c25-17-11-10-14(12-18(17)26)13-28-19-9-5-4-8-16(19)24(22(28)32)21(31)27-23(33)29(24)20(30)15-6-2-1-3-7-15/h1-12H,13H2,(H,27,31,33).
What are the key properties of 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 480.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-1'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 20501035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).