1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine

C15H20F2N4O2S — CID 121477882

IUPAC1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2N4O2S/c1-2-19-8-10-20(11-9-19)15-18-6-7-21(15)24(22,23)14-12(16)4-3-5-13(14)17/h3-5H,2,6-11H2,1H3
InChIKeyGBGIXXWQZJBHCV-UHFFFAOYSA-N
MW358.41 g/mol
LogP0.96
Rot. Bonds3

About 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine

1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine (PubChem CID 121477882) has the molecular formula C15H20F2N4O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine
PubChem CID121477882
Molecular FormulaC15H20F2N4O2S
Molecular Weight358.41 g/mol
Exact Mass358.13
IUPAC Name1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2N4O2S/c1-2-19-8-10-20(11-9-19)15-18-6-7-21(15)24(22,23)14-12(16)4-3-5-13(14)17/h3-5H,2,6-11H2,1H3
InChIKeyGBGIXXWQZJBHCV-UHFFFAOYSA-N
XLogP0.96
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10202354, Example 103
CID 121477837
US10202354, Example 107
CID 121477838
US10202354, Example 109
CID 121477842
US10202354, Example 117
CID 121477775
US10202354, Example 101
CID 121477840
1-[(2,6-Difluorophenyl)sulfonyl]-4-ethylpiperazine
CID 890892
1-(3,4-Difluorobenzenesulfonyl)-4-ethylpiperazine
CID 2142611
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 6737006
1-[[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyltetrazole-5-thione
CID 17563808
1-[1-(4-Fluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
CID 53071992
1-{1-[(2,4-difluorophenyl)sulfonyl]-4,5-dihydro-1H-imidazol-2-yl}piperidine
CID 53072012
1-ethyl-4-{1-[(5-fluoro-2-methylphenyl)sulfonyl]-4,5-dihydro-1H-imidazol-2-yl}piperazine
CID 53072093

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
The IUPAC name of 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine (CID 121477882) is 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
The InChIKey is GBGIXXWQZJBHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2S/c1-2-19-8-10-20(11-9-19)15-18-6-7-21(15)24(22,23)14-12(16)4-3-5-13(14)17/h3-5H,2,6-11H2,1H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine has a molecular weight of 358.41 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine is sourced from PubChem (CID 121477882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).