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

C17H21Cl3N4O2 — CID 120878163

IUPAC2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C17H20Cl2N4O2.ClH/c1-11(25-15-4-3-12(18)9-13(15)19)17(24)23-8-5-20-10-14(23)16-21-6-7-22(16)2;/h3-4,6-7,9,11,14,20H,5,8,10H2,1-2H3;1H
InChIKeyYLOLXDVRKBNQOV-UHFFFAOYSA-N
MW419.74 g/mol
LogP3.09
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 120878163) has the molecular formula C17H21Cl3N4O2 and a molecular weight of 419.74 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID120878163
Molecular FormulaC17H21Cl3N4O2
Molecular Weight419.74 g/mol
Exact Mass418.07
IUPAC Name2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C17H20Cl2N4O2.ClH/c1-11(25-15-4-3-12(18)9-13(15)19)17(24)23-8-5-20-10-14(23)16-21-6-7-22(16)2;/h3-4,6-7,9,11,14,20H,5,8,10H2,1-2H3;1H
InChIKeyYLOLXDVRKBNQOV-UHFFFAOYSA-N
XLogP3.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879660
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 120879580
2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878687
3-(2-chloro-4-fluorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120880856
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
3-(4-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120877447
2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880841
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
2-(3-chlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879486
2-(2-chloro-4-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120728927

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride (CID 120878163) is 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCNCC1c1nccn1C.Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is YLOLXDVRKBNQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2.ClH/c1-11(25-15-4-3-12(18)9-13(15)19)17(24)23-8-5-20-10-14(23)16-21-6-7-22(16)2;/h3-4,6-7,9,11,14,20H,5,8,10H2,1-2H3;1H.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 419.74 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120878163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).