2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

C16H19Cl3N4O2 — CID 120880841

IUPAC2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N4O2.ClH/c1-21-6-5-20-16(21)14-9-19-4-7-22(14)15(23)10-24-11-2-3-12(17)13(18)8-11;/h2-3,5-6,8,14,19H,4,7,9-10H2,1H3;1H
InChIKeyHBMFGNNVUUBQSZ-UHFFFAOYSA-N
MW405.71 g/mol
LogP2.70
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120880841) has the molecular formula C16H19Cl3N4O2 and a molecular weight of 405.71 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120880841
Molecular FormulaC16H19Cl3N4O2
Molecular Weight405.71 g/mol
Exact Mass404.06
IUPAC Name2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N4O2.ClH/c1-21-6-5-20-16(21)14-9-19-4-7-22(14)15(23)10-24-11-2-3-12(17)13(18)8-11;/h2-3,5-6,8,14,19H,4,7,9-10H2,1H3;1H
InChIKeyHBMFGNNVUUBQSZ-UHFFFAOYSA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
2-(3-chlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879486
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807
2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879016
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 120880193
3-(4-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120877447
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 120879746
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (CID 120880841) is 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is HBMFGNNVUUBQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2.ClH/c1-21-6-5-20-16(21)14-9-19-4-7-22(14)15(23)10-24-11-2-3-12(17)13(18)8-11;/h2-3,5-6,8,14,19H,4,7,9-10H2,1H3;1H.
What are the key properties of 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 405.71 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120880841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).