1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone

C22H19FN2O2S — CID 3576389

IUPAC1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C22H19FN2O2S/c23-20-8-4-3-7-18(20)15-28-22-24-11-12-25(22)21(26)14-27-19-10-9-16-5-1-2-6-17(16)13-19/h1-10,13H,11-12,14-15H2
InChIKeyBEROGNLYSCDXLU-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.49
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone

1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 3576389) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID3576389
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C22H19FN2O2S/c23-20-8-4-3-7-18(20)15-28-22-24-11-12-25(22)21(26)14-27-19-10-9-16-5-1-2-6-17(16)13-19/h1-10,13H,11-12,14-15H2
InChIKeyBEROGNLYSCDXLU-UHFFFAOYSA-N
XLogP4.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone (CID 3576389) is 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is BEROGNLYSCDXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-20-8-4-3-7-18(20)15-28-22-24-11-12-25(22)21(26)14-27-19-10-9-16-5-1-2-6-17(16)13-19/h1-10,13H,11-12,14-15H2.
What are the key properties of 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 394.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 3576389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).