N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C16H23Cl2N5OS — CID 120870243

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120870243) has the molecular formula C16H23Cl2N5OS and a molecular weight of 404.37 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
• PubChem CID: 120870243
• Molecular Formula: C16H23Cl2N5OS
• Molecular Weight: 404.37 g/mol
• Exact Mass: 403.10
• IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
• SMILES: CN(Cc1ccc(Cl)s1)C(=O)CN1CCNCC1c1nccn1C.Cl
• InChI: InChI=1S/C16H22ClN5OS.ClH/c1-20-7-6-19-16(20)13-9-18-5-8-22(13)11-15(23)21(2)10-12-3-4-14(17)24-12;/h3-4,6-7,13,18H,5,8-11H2,1-2H3;1H
• InChIKey: ABWPAPUOTKRJPK-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.37
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 120870243) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is CN(Cc1ccc(Cl)s1)C(=O)CN1CCNCC1c1nccn1C.Cl.

What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

The InChIKey is ABWPAPUOTKRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5OS.ClH/c1-20-7-6-19-16(20)13-9-18-5-8-22(13)11-15(23)21(2)10-12-3-4-14(17)24-12;/h3-4,6-7,13,18H,5,8-11H2,1-2H3;1H.

What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 404.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120870243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).