1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone

C19H19FN2O2S — CID 4526639

IUPAC1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-24-17-7-5-14(6-8-17)12-18(23)22-10-9-21-19(22)25-13-15-3-2-4-16(20)11-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyWQFHSWFITBIROA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.51
Rot. Bonds5

About 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone

1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 4526639) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID4526639
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-24-17-7-5-14(6-8-17)12-18(23)22-10-9-21-19(22)25-13-15-3-2-4-16(20)11-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyWQFHSWFITBIROA-UHFFFAOYSA-N
XLogP3.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone 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-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone (CID 4526639) is 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is WQFHSWFITBIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-24-17-7-5-14(6-8-17)12-18(23)22-10-9-21-19(22)25-13-15-3-2-4-16(20)11-15/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 358.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 4526639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).