[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C18H23FN4O3S2 — CID 56572424

IUPAC[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCSc1ncc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O3S2/c1-27-18-20-13-16(23(18)15-5-3-14(19)4-6-15)17(24)22-9-7-21(8-10-22)11-12-28(2,25)26/h3-6,13H,7-12H2,1-2H3
InChIKeyUEARCFUBRBNFOT-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.54
Rot. Bonds6

About [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 56572424) has the molecular formula C18H23FN4O3S2 and a molecular weight of 426.54 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID56572424
Molecular FormulaC18H23FN4O3S2
Molecular Weight426.54 g/mol
Exact Mass426.12
IUPAC Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCSc1ncc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O3S2/c1-27-18-20-13-16(23(18)15-5-3-14(19)4-6-15)17(24)22-9-7-21(8-10-22)11-12-28(2,25)26/h3-6,13H,7-12H2,1-2H3
InChIKeyUEARCFUBRBNFOT-UHFFFAOYSA-N
XLogP1.54
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone 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 [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 56572424) is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CSc1ncc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)n1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is UEARCFUBRBNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S2/c1-27-18-20-13-16(23(18)15-5-3-14(19)4-6-15)17(24)22-9-7-21(8-10-22)11-12-28(2,25)26/h3-6,13H,7-12H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 426.54 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56572424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).