1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one

C19H19FN2O2S — CID 4168758

IUPAC1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C19H19FN2O2S/c1-14(24-17-8-3-2-4-9-17)18(23)22-11-10-21-19(22)25-13-15-6-5-7-16(20)12-15/h2-9,12,14H,10-11,13H2,1H3
InChIKeyCFDSEHNHXWHULH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.72
Rot. Bonds5

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

1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one (PubChem CID 4168758) 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-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
PubChem CID4168758
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc(F)c1
InChIInChI=1S/C19H19FN2O2S/c1-14(24-17-8-3-2-4-9-17)18(23)22-11-10-21-19(22)25-13-15-6-5-7-16(20)12-15/h2-9,12,14H,10-11,13H2,1H3
InChIKeyCFDSEHNHXWHULH-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one (CID 4168758) is 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one?
The InChIKey is CFDSEHNHXWHULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-14(24-17-8-3-2-4-9-17)18(23)22-11-10-21-19(22)25-13-15-6-5-7-16(20)12-15/h2-9,12,14H,10-11,13H2,1H3.
What are the key properties of 1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one?
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one has a molecular weight of 358.44 g/mol, XLogP of 3.72, 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-phenoxypropan-1-one is sourced from PubChem (CID 4168758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).