1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

C18H10Cl2F3N3O3 — CID 13251296

IUPAC1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)cccc12
InChIInChI=1S/C18H10Cl2F3N3O3/c19-11-5-4-8(6-12(11)20)7-26-13-9(2-1-3-10(13)18(21,22)23)17(15(26)28)14(27)24-16(29)25-17/h1-6H,7H2,(H2,24,25,27,29)
InChIKeyLKQRLBOPQOXUDJ-UHFFFAOYSA-N
MW444.20 g/mol
LogP3.59
Rot. Bonds2

About 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 13251296) has the molecular formula C18H10Cl2F3N3O3 and a molecular weight of 444.20 g/mol. Its IUPAC name is 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID13251296
Molecular FormulaC18H10Cl2F3N3O3
Molecular Weight444.20 g/mol
Exact Mass443.01
IUPAC Name1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)cccc12
InChIInChI=1S/C18H10Cl2F3N3O3/c19-11-5-4-8(6-12(11)20)7-26-13-9(2-1-3-10(13)18(21,22)23)17(15(26)28)14(27)24-16(29)25-17/h1-6H,7H2,(H2,24,25,27,29)
InChIKeyLKQRLBOPQOXUDJ-UHFFFAOYSA-N
XLogP3.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.20
LogP ≤ 53.59
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'}

Analyze 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione 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'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 13251296) is 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is O=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)cccc12.
What is the InChIKey of 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is LKQRLBOPQOXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3N3O3/c19-11-5-4-8(6-12(11)20)7-26-13-9(2-1-3-10(13)18(21,22)23)17(15(26)28)14(27)24-16(29)25-17/h1-6H,7H2,(H2,24,25,27,29).
What are the key properties of 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 444.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,4-dichlorophenyl)methyl]-7'-(trifluoromethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 13251296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).