2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone

C21H19N3O2S — CID 4142003

IUPAC2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C21H19N3O2S/c25-20(14-26-19-8-7-17-5-1-2-6-18(17)12-19)24-11-10-23-21(24)27-15-16-4-3-9-22-13-16/h1-9,12-13H,10-11,14-15H2
InChIKeyMABNFZHBOYKGDL-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.75
Rot. Bonds5

About 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone

2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 4142003) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID4142003
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C21H19N3O2S/c25-20(14-26-19-8-7-17-5-1-2-6-18(17)12-19)24-11-10-23-21(24)27-15-16-4-3-9-22-13-16/h1-9,12-13H,10-11,14-15H2
InChIKeyMABNFZHBOYKGDL-UHFFFAOYSA-N
XLogP3.75
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone (CID 4142003) is 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1cccnc1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is MABNFZHBOYKGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-20(14-26-19-8-7-17-5-1-2-6-18(17)12-19)24-11-10-23-21(24)27-15-16-4-3-9-22-13-16/h1-9,12-13H,10-11,14-15H2.
What are the key properties of 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 377.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 4142003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).