(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone

C12H11F3N2OS — CID 3244879

IUPAC(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCSC1=NCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2OS/c1-19-11-16-5-6-17(11)10(18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7H,5-6H2,1H3
InChIKeyISQWISLJSWSWOW-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.88
Rot. Bonds1

About (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone

(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 3244879) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID3244879
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCSC1=NCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2OS/c1-19-11-16-5-6-17(11)10(18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7H,5-6H2,1H3
InChIKeyISQWISLJSWSWOW-UHFFFAOYSA-N
XLogP2.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 3244879) is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone is CSC1=NCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ISQWISLJSWSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-19-11-16-5-6-17(11)10(18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7H,5-6H2,1H3.
What are the key properties of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 288.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 3244879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).