5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole

C13H13F3N2S — CID 21193566

IUPAC5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole
SMILESCC(Cc1cnc[nH]1)Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2S/c1-9(5-11-7-17-8-18-11)19-12-4-2-3-10(6-12)13(14,15)16/h2-4,6-9H,5H2,1H3,(H,17,18)
InChIKeyOOCQBWCBNXOOPG-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.15
Rot. Bonds4

About 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole

5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole (PubChem CID 21193566) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole
PubChem CID21193566
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole
SMILESCC(Cc1cnc[nH]1)Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2S/c1-9(5-11-7-17-8-18-11)19-12-4-2-3-10(6-12)13(14,15)16/h2-4,6-9H,5H2,1H3,(H,17,18)
InChIKeyOOCQBWCBNXOOPG-UHFFFAOYSA-N
XLogP4.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole 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 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole?
The IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole (CID 21193566) is 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole is CC(Cc1cnc[nH]1)Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole?
The InChIKey is OOCQBWCBNXOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-9(5-11-7-17-8-18-11)19-12-4-2-3-10(6-12)13(14,15)16/h2-4,6-9H,5H2,1H3,(H,17,18).
What are the key properties of 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole?
5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole has a molecular weight of 286.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole is sourced from PubChem (CID 21193566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).