1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C16H23FN4O2S — CID 53072093

IUPAC1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C16H23FN4O2S/c1-3-19-8-10-20(11-9-19)16-18-6-7-21(16)24(22,23)15-12-14(17)5-4-13(15)2/h4-5,12H,3,6-11H2,1-2H3
InChIKeyYAHBOERIAATHBI-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.13
Rot. Bonds3

About 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 53072093) has the molecular formula C16H23FN4O2S and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID53072093
Molecular FormulaC16H23FN4O2S
Molecular Weight354.45 g/mol
Exact Mass354.15
IUPAC Name1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C16H23FN4O2S/c1-3-19-8-10-20(11-9-19)16-18-6-7-21(16)24(22,23)15-12-14(17)5-4-13(15)2/h4-5,12H,3,6-11H2,1-2H3
InChIKeyYAHBOERIAATHBI-UHFFFAOYSA-N
XLogP1.13
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine 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-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 53072093) is 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2cc(F)ccc2C)CC1.
What is the InChIKey of 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is YAHBOERIAATHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2S/c1-3-19-8-10-20(11-9-19)16-18-6-7-21(16)24(22,23)15-12-14(17)5-4-13(15)2/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 354.45 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(5-fluoro-2-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 53072093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).