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

C18H17FN2O2S — CID 3607313

IUPAC1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c19-15-8-6-14(7-9-15)13-24-18-20-10-11-21(18)17(22)12-23-16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyPPKMZRQBAWEMKU-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.34
Rot. Bonds5

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

1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone (PubChem CID 3607313) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
PubChem CID3607313
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c19-15-8-6-14(7-9-15)13-24-18-20-10-11-21(18)17(22)12-23-16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyPPKMZRQBAWEMKU-UHFFFAOYSA-N
XLogP3.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
CID 4127627
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
CID 4168758
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxypropan-1-one
CID 4558613
1-[2-[(4-Methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
CID 4417679
1-[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
CID 4385657
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
CID 4600553
1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone
CID 3456010
1-(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
CID 4178401
1-(2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxypropan-1-one
CID 5076104
5-(4-Fluorophenoxy)-3,6-dimethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-one
CID 2745285
1-[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone
CID 3576389
2-(2,4-Dichlorophenoxy)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4456390

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone (CID 3607313) is 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone?
The InChIKey is PPKMZRQBAWEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-15-8-6-14(7-9-15)13-24-18-20-10-11-21(18)17(22)12-23-16-4-2-1-3-5-16/h1-9H,10-13H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone?
1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone has a molecular weight of 344.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 3607313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).