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

C16H24N4O2S — CID 121477775

IUPAC1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N4O2S/c1-3-18-10-12-19(13-11-18)16-17-8-9-20(16)23(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyLJBZBZZCXGORJR-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.99
Rot. Bonds3

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

1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477775) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477775
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N4O2S/c1-3-18-10-12-19(13-11-18)16-17-8-9-20(16)23(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyLJBZBZZCXGORJR-UHFFFAOYSA-N
XLogP0.99
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477775) is 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is LJBZBZZCXGORJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-18-10-12-19(13-11-18)16-17-8-9-20(16)23(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-ethyl-4-[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 336.46 g/mol, XLogP of 0.99, 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-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).