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

C16H19Cl3N4O2 — CID 45284150

IUPAC2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H18Cl2N4O2.ClH/c1-20-5-4-19-16(20)22-8-6-21(7-9-22)15(23)11-24-14-3-2-12(17)10-13(14)18;/h2-5,10H,6-9,11H2,1H3;1H
InChIKeyJNMQPZSIKHMAKC-UHFFFAOYSA-N
MW405.71 g/mol
LogP2.88
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 45284150) has the molecular formula C16H19Cl3N4O2 and a molecular weight of 405.71 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID45284150
Molecular FormulaC16H19Cl3N4O2
Molecular Weight405.71 g/mol
Exact Mass404.06
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H18Cl2N4O2.ClH/c1-20-5-4-19-16(20)22-8-6-21(7-9-22)15(23)11-24-14-3-2-12(17)10-13(14)18;/h2-5,10H,6-9,11H2,1H3;1H
InChIKeyJNMQPZSIKHMAKC-UHFFFAOYSA-N
XLogP2.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
CID 71779972
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
2-(4-methoxyphenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284816
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700
2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 16883357
2-(2,4-dichlorophenoxy)-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 60603145
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536086
2-(2,4-dichlorophenoxy)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075010
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (CID 45284150) is 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is Cl.Cn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is JNMQPZSIKHMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2.ClH/c1-20-5-4-19-16(20)22-8-6-21(7-9-22)15(23)11-24-14-3-2-12(17)10-13(14)18;/h2-5,10H,6-9,11H2,1H3;1H.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 405.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 45284150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).