(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C13H15Cl3N4OS — CID 120878803

IUPAC(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N4OS.ClH/c1-18-4-3-17-12(18)9-7-16-2-5-19(9)13(20)8-6-10(14)21-11(8)15;/h3-4,6,9,16H,2,5,7H2,1H3;1H
InChIKeyMJPFGKWIWDIIPX-UHFFFAOYSA-N
MW381.72 g/mol
LogP3.00
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120878803) has the molecular formula C13H15Cl3N4OS and a molecular weight of 381.72 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120878803
Molecular FormulaC13H15Cl3N4OS
Molecular Weight381.72 g/mol
Exact Mass380.00
IUPAC Name(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N4OS.ClH/c1-18-4-3-17-12(18)9-7-16-2-5-19(9)13(20)8-6-10(14)21-11(8)15;/h3-4,6,9,16H,2,5,7H2,1H3;1H
InChIKeyMJPFGKWIWDIIPX-UHFFFAOYSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
(2,4-dichloro-5-methylsulfanylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877708
(2-fluoro-4,5-dimethoxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879795
(4-chloro-1H-pyrrol-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877855
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878813
(3,6-dichloro-1-benzothiophen-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880190
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878687

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120878803) is (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is MJPFGKWIWDIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4OS.ClH/c1-18-4-3-17-12(18)9-7-16-2-5-19(9)13(20)8-6-10(14)21-11(8)15;/h3-4,6,9,16H,2,5,7H2,1H3;1H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 381.72 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120878803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).