propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate

C15H15F3N2O2S — CID 155947281

IUPACpropyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate
SMILESCCCOC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-2-9-22-13(21)10-23-14-19-7-8-20(14)12-5-3-11(4-6-12)15(16,17)18/h3-8H,2,9-10H2,1H3
InChIKeyFHSWBPNDFGLJRG-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.94
Rot. Bonds6

About propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate

propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate (PubChem CID 155947281) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate.

Molecular Properties

Compound Namepropyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate
PubChem CID155947281
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Namepropyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate
SMILESCCCOC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-2-9-22-13(21)10-23-14-19-7-8-20(14)12-5-3-11(4-6-12)15(16,17)18/h3-8H,2,9-10H2,1H3
InChIKeyFHSWBPNDFGLJRG-UHFFFAOYSA-N
XLogP3.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate 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 propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate?
The IUPAC name of propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate (CID 155947281) is propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate.
What is the SMILES notation for propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate?
The canonical SMILES for propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate is CCCOC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate?
The InChIKey is FHSWBPNDFGLJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-2-9-22-13(21)10-23-14-19-7-8-20(14)12-5-3-11(4-6-12)15(16,17)18/h3-8H,2,9-10H2,1H3.
What are the key properties of propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate?
propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate has a molecular weight of 344.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetate is sourced from PubChem (CID 155947281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).