1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide

C12H14BrFN2OS — CID 2798500

IUPAC1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide
SMILESBr.CSC1=NCCN1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS.BrH/c1-17-12-14-6-7-15(12)8-11(16)9-2-4-10(13)5-3-9;/h2-5H,6-8H2,1H3;1H
InChIKeyPORYNOMOPZXDRW-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide

1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide (PubChem CID 2798500) has the molecular formula C12H14BrFN2OS and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide
PubChem CID2798500
Molecular FormulaC12H14BrFN2OS
Molecular Weight333.23 g/mol
Exact Mass332.00
IUPAC Name1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide
SMILESBr.CSC1=NCCN1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS.BrH/c1-17-12-14-6-7-15(12)8-11(16)9-2-4-10(13)5-3-9;/h2-5H,6-8H2,1H3;1H
InChIKeyPORYNOMOPZXDRW-UHFFFAOYSA-N
XLogP2.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide (CID 2798500) is 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide is Br.CSC1=NCCN1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide?
The InChIKey is PORYNOMOPZXDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS.BrH/c1-17-12-14-6-7-15(12)8-11(16)9-2-4-10(13)5-3-9;/h2-5H,6-8H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide?
1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide has a molecular weight of 333.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 2798500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).