1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one

C19H20N2O2S — CID 4558613

IUPAC1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-15(23-17-10-6-3-7-11-17)18(22)21-13-12-20-19(21)24-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3
InChIKeyMYKAEFIROSUYOL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.59
Rot. Bonds5

About 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one

1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one (PubChem CID 4558613) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one
PubChem CID4558613
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-15(23-17-10-6-3-7-11-17)18(22)21-13-12-20-19(21)24-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3
InChIKeyMYKAEFIROSUYOL-UHFFFAOYSA-N
XLogP3.59
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one?
The IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one (CID 4558613) is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one?
The canonical SMILES for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1.
What is the InChIKey of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one?
The InChIKey is MYKAEFIROSUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-15(23-17-10-6-3-7-11-17)18(22)21-13-12-20-19(21)24-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3.
What are the key properties of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one?
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one has a molecular weight of 340.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one is sourced from PubChem (CID 4558613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).