2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride

C15H20Cl2N4OS — CID 120878687

IUPAC2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1c1nccn1C)c1ccc(Cl)s1.Cl
InChIInChI=1S/C15H19ClN4OS.ClH/c1-10(12-3-4-13(16)22-12)15(21)20-8-5-17-9-11(20)14-18-6-7-19(14)2;/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3;1H
InChIKeyJICVQXPSVFJLHH-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.83
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride

2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 120878687) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID120878687
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1c1nccn1C)c1ccc(Cl)s1.Cl
InChIInChI=1S/C15H19ClN4OS.ClH/c1-10(12-3-4-13(16)22-12)15(21)20-8-5-17-9-11(20)14-18-6-7-19(14)2;/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3;1H
InChIKeyJICVQXPSVFJLHH-UHFFFAOYSA-N
XLogP2.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878803
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one;hydrochloride
CID 120877675
2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878163
2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120733797
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879660
2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879558
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride (CID 120878687) is 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride is CC(C(=O)N1CCNCC1c1nccn1C)c1ccc(Cl)s1.Cl.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is JICVQXPSVFJLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS.ClH/c1-10(12-3-4-13(16)22-12)15(21)20-8-5-17-9-11(20)14-18-6-7-19(14)2;/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3;1H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120878687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).