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

C15H20F2N4O2S — CID 121477842

IUPAC1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N4O2S/c1-2-19-7-9-20(10-8-19)15-18-5-6-21(15)24(22,23)14-4-3-12(16)11-13(14)17/h3-4,11H,2,5-10H2,1H3
InChIKeyCPEVXORTDDIANS-UHFFFAOYSA-N
MW358.41 g/mol
LogP0.96
Rot. Bonds3

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

1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine (PubChem CID 121477842) has the molecular formula C15H20F2N4O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine
PubChem CID121477842
Molecular FormulaC15H20F2N4O2S
Molecular Weight358.41 g/mol
Exact Mass358.13
IUPAC Name1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N4O2S/c1-2-19-7-9-20(10-8-19)15-18-5-6-21(15)24(22,23)14-4-3-12(16)11-13(14)17/h3-4,11H,2,5-10H2,1H3
InChIKeyCPEVXORTDDIANS-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
The IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine (CID 121477842) is 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
The InChIKey is CPEVXORTDDIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2S/c1-2-19-7-9-20(10-8-19)15-18-5-6-21(15)24(22,23)14-4-3-12(16)11-13(14)17/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine?
1-[1-(2,4-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-(2,4-difluorophenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-ethylpiperazine is sourced from PubChem (CID 121477842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).