2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one

C13H15FN2O2S — CID 71977634

IUPAC2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
SMILESCSC1=NCCN1C(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C13H15FN2O2S/c1-9(18-11-5-3-4-10(14)8-11)12(17)16-7-6-15-13(16)19-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKIZYMYJLYHRGOV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.15
Rot. Bonds3

About 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one

2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one (PubChem CID 71977634) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
PubChem CID71977634
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
SMILESCSC1=NCCN1C(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C13H15FN2O2S/c1-9(18-11-5-3-4-10(14)8-11)12(17)16-7-6-15-13(16)19-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKIZYMYJLYHRGOV-UHFFFAOYSA-N
XLogP2.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione
CID 66083720
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
CID 4178401
2-(3-fluorophenoxy)-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060436
1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146213
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86926716
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
(2S)-1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxypropan-1-one
CID 7104654
6-[2-(3-fluorophenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175614
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
The IUPAC name of 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one (CID 71977634) is 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
The canonical SMILES for 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one is CSC1=NCCN1C(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
The InChIKey is KIZYMYJLYHRGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-9(18-11-5-3-4-10(14)8-11)12(17)16-7-6-15-13(16)19-2/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one?
2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one is sourced from PubChem (CID 71977634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).