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

C20H21FN2OS — CID 3307440

IUPAC1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2OS/c1-14-3-4-15(2)17(11-14)13-25-20-22-9-10-23(20)19(24)12-16-5-7-18(21)8-6-16/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyHIYCTBDEUYCWSJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.12
Rot. Bonds4

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

1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 3307440) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID3307440
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2OS/c1-14-3-4-15(2)17(11-14)13-25-20-22-9-10-23(20)19(24)12-16-5-7-18(21)8-6-16/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyHIYCTBDEUYCWSJ-UHFFFAOYSA-N
XLogP4.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone 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-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
CID 5225374
1-[2-[(2,5-Dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 3544830
1-(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-1-ylethanone
CID 4362281
1-(2-Ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
CID 5183504
2-(4-Fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4568719
4(5H)-Thiazolone, 5-(4-methylphenyl)-2-(4-methyl-1-piperazinyl)-
CID 3039603
5-Phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 3039604
4(5H)-Thiazolone, 5-(4-fluorophenyl)-2-(4-methyl-1-piperazinyl)-
CID 3039609
4(5H)-Thiazolone, 5-(4-(1-methylethyl)phenyl)-2-(4-methyl-1-piperazinyl)-
CID 3039611
4(5H)-Thiazolone, 5-(4-fluorophenyl)-2-(4-propyl-1-piperazinyl)-
CID 3039612
4(5H)-Thiazolone, 5-(4-fluorophenyl)-2-(4-(2-propenyl)-1-piperazinyl)-
CID 3039613
4(5H)-Thiazolone, 5-(4-methylphenyl)-2-(4-(2-propenyl)-1-piperazinyl)-
CID 3039614

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone (CID 3307440) is 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone is Cc1ccc(C)c(CSC2=NCCN2C(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is HIYCTBDEUYCWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-14-3-4-15(2)17(11-14)13-25-20-22-9-10-23(20)19(24)12-16-5-7-18(21)8-6-16/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone?
1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 3307440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).