1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C17H25ClN4S — CID 120911795

IUPAC1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCCSc1cccc(CN2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C17H24N4S.ClH/c1-3-22-15-6-4-5-14(11-15)13-21-10-7-18-12-16(21)17-19-8-9-20(17)2;/h4-6,8-9,11,16,18H,3,7,10,12-13H2,1-2H3;1H
InChIKeyZEWHRQDJDRVIQT-UHFFFAOYSA-N
MW352.94 g/mol
LogP3.10
Rot. Bonds5

About 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120911795) has the molecular formula C17H25ClN4S and a molecular weight of 352.94 g/mol. Its IUPAC name is 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120911795
Molecular FormulaC17H25ClN4S
Molecular Weight352.94 g/mol
Exact Mass352.15
IUPAC Name1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCCSc1cccc(CN2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C17H24N4S.ClH/c1-3-22-15-6-4-5-14(11-15)13-21-10-7-18-12-16(21)17-19-8-9-20(17)2;/h4-6,8-9,11,16,18H,3,7,10,12-13H2,1-2H3;1H
InChIKeyZEWHRQDJDRVIQT-UHFFFAOYSA-N
XLogP3.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.94
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[(3-nitrophenyl)methyl]piperazine
CID 120870371
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911827
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120912272
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912365

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120911795) is 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is CCSc1cccc(CN2CCNCC2c2nccn2C)c1.Cl.
What is the InChIKey of 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is ZEWHRQDJDRVIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S.ClH/c1-3-22-15-6-4-5-14(11-15)13-21-10-7-18-12-16(21)17-19-8-9-20(17)2;/h4-6,8-9,11,16,18H,3,7,10,12-13H2,1-2H3;1H.
What are the key properties of 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 352.94 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120911795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).