1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione

C15H14FN3O2S — CID 30805108

IUPAC1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H14FN3O2S/c16-11-3-1-10(2-4-11)12-9-17-15(18-12)22-8-7-19-13(20)5-6-14(19)21/h1-4,9H,5-8H2,(H,17,18)
InChIKeyAVUGRJDCFVGYDX-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione

1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione (PubChem CID 30805108) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
PubChem CID30805108
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H14FN3O2S/c16-11-3-1-10(2-4-11)12-9-17-15(18-12)22-8-7-19-13(20)5-6-14(19)21/h1-4,9H,5-8H2,(H,17,18)
InChIKeyAVUGRJDCFVGYDX-UHFFFAOYSA-N
XLogP2.46
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]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-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione (CID 30805108) is 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is AVUGRJDCFVGYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c16-11-3-1-10(2-4-11)12-9-17-15(18-12)22-8-7-19-13(20)5-6-14(19)21/h1-4,9H,5-8H2,(H,17,18).
What are the key properties of 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 319.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 30805108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).