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

C20H19F3N2OS — CID 5048823

IUPAC[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2OS/c1-13-7-8-14(2)15(11-13)12-27-19-24-9-10-25(19)18(26)16-5-3-4-6-17(16)20(21,22)23/h3-8,11H,9-10,12H2,1-2H3
InChIKeyZWDVIXLDHBBDBY-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.07
Rot. Bonds3

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

[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 5048823) has the molecular formula C20H19F3N2OS and a molecular weight of 392.45 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID5048823
Molecular FormulaC20H19F3N2OS
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2OS/c1-13-7-8-14(2)15(11-13)12-27-19-24-9-10-25(19)18(26)16-5-3-4-6-17(16)20(21,22)23/h3-8,11H,9-10,12H2,1-2H3
InChIKeyZWDVIXLDHBBDBY-UHFFFAOYSA-N
XLogP5.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 5048823) is [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone is Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZWDVIXLDHBBDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2OS/c1-13-7-8-14(2)15(11-13)12-27-19-24-9-10-25(19)18(26)16-5-3-4-6-17(16)20(21,22)23/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 392.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 5048823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).