1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride

C18H25ClN4O2 — CID 120869765

IUPAC1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccccc1OCCN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14(23)15-5-3-4-6-17(15)24-12-11-22-10-7-19-13-16(22)18-20-8-9-21(18)2;/h3-6,8-9,16,19H,7,10-13H2,1-2H3;1H
InChIKeyRVKWINHTIOTWKJ-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.07
Rot. Bonds6

About 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride

1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride (PubChem CID 120869765) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
PubChem CID120869765
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccccc1OCCN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14(23)15-5-3-4-6-17(15)24-12-11-22-10-7-19-13-16(22)18-20-8-9-21(18)2;/h3-6,8-9,16,19H,7,10-13H2,1-2H3;1H
InChIKeyRVKWINHTIOTWKJ-UHFFFAOYSA-N
XLogP2.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
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2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 120869705
3-(2,3-dimethylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880399
2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
CID 120871041
N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871328
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120871068
1-[2-(2-methoxyethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894537
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride (CID 120869765) is 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride is CC(=O)c1ccccc1OCCN1CCNCC1c1nccn1C.Cl.
What is the InChIKey of 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride?
The InChIKey is RVKWINHTIOTWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-14(23)15-5-3-4-6-17(15)24-12-11-22-10-7-19-13-16(22)18-20-8-9-21(18)2;/h3-6,8-9,16,19H,7,10-13H2,1-2H3;1H.
What are the key properties of 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride?
1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 120869765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).