2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine

C17H24N4O3S — CID 120871041

IUPAC2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
SMILESCn1ccnc1C1CNCCN1CCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H24N4O3S/c1-20-9-8-19-17(20)16-13-18-7-10-21(16)11-12-24-14-3-5-15(6-4-14)25(2,22)23/h3-6,8-9,16,18H,7,10-13H2,1-2H3
InChIKeyIDZFWWPQRIBPTE-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.85
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine

2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine (PubChem CID 120871041) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
PubChem CID120871041
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
SMILESCn1ccnc1C1CNCCN1CCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H24N4O3S/c1-20-9-8-19-17(20)16-13-18-7-10-21(16)11-12-24-14-3-5-15(6-4-14)25(2,22)23/h3-6,8-9,16,18H,7,10-13H2,1-2H3
InChIKeyIDZFWWPQRIBPTE-UHFFFAOYSA-N
XLogP0.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120870468
N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide
CID 120870475
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
CID 120870422
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
1-[4-(2,2-difluoroethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894653
1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
CID 120869765
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
1-[2-(3-methylsulfonylphenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120754265
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870032

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine (CID 120871041) is 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine is Cn1ccnc1C1CNCCN1CCOc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine?
The InChIKey is IDZFWWPQRIBPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-20-9-8-19-17(20)16-13-18-7-10-21(16)11-12-24-14-3-5-15(6-4-14)25(2,22)23/h3-6,8-9,16,18H,7,10-13H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine?
2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine has a molecular weight of 364.47 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine is sourced from PubChem (CID 120871041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).