2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone

C13H16N2O2S — CID 5064375

IUPAC2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C13H16N2O2S/c1-17-11-5-3-10(4-6-11)9-12(16)15-8-7-14-13(15)18-2/h3-6H,7-9H2,1-2H3
InChIKeyMOKNSKBBMOCKOB-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone

2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (PubChem CID 5064375) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
PubChem CID5064375
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C13H16N2O2S/c1-17-11-5-3-10(4-6-11)9-12(16)15-8-7-14-13(15)18-2/h3-6H,7-9H2,1-2H3
InChIKeyMOKNSKBBMOCKOB-UHFFFAOYSA-N
XLogP1.80
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (CID 5064375) is 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is COc1ccc(CC(=O)N2CCN=C2SC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The InChIKey is MOKNSKBBMOCKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-11-5-3-10(4-6-11)9-12(16)15-8-7-14-13(15)18-2/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone has a molecular weight of 264.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is sourced from PubChem (CID 5064375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).