1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione

C19H18N6O2 — CID 42911442

IUPAC1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(-n3cnnn3)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C19H18N6O2/c26-18-12-17(19(27)24(18)11-10-14-4-2-1-3-5-14)21-15-6-8-16(9-7-15)25-13-20-22-23-25/h1-9,13,17,21H,10-12H2
InChIKeyYTAGXAOAIIPMTO-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.44
Rot. Bonds6

About 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione

1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione (PubChem CID 42911442) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione
PubChem CID42911442
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(-n3cnnn3)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C19H18N6O2/c26-18-12-17(19(27)24(18)11-10-14-4-2-1-3-5-14)21-15-6-8-16(9-7-15)25-13-20-22-23-25/h1-9,13,17,21H,10-12H2
InChIKeyYTAGXAOAIIPMTO-UHFFFAOYSA-N
XLogP1.44
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione 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-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione (CID 42911442) is 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(-n3cnnn3)cc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione?
The InChIKey is YTAGXAOAIIPMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-18-12-17(19(27)24(18)11-10-14-4-2-1-3-5-14)21-15-6-8-16(9-7-15)25-13-20-22-23-25/h1-9,13,17,21H,10-12H2.
What are the key properties of 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione?
1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione has a molecular weight of 362.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 42911442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).