N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C18H25Cl2N5O2 — CID 120869971

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120869971) has the molecular formula C18H25Cl2N5O2 and a molecular weight of 414.34 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
• PubChem CID: 120869971
• Molecular Formula: C18H25Cl2N5O2
• Molecular Weight: 414.34 g/mol
• Exact Mass: 413.14
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
• SMILES: COc1cc(Cl)c(C)cc1NC(=O)CN1CCNCC1c1nccn1C.Cl
• InChI: InChI=1S/C18H24ClN5O2.ClH/c1-12-8-14(16(26-3)9-13(12)19)22-17(25)11-24-7-4-20-10-15(24)18-21-5-6-23(18)2;/h5-6,8-9,15,20H,4,7,10-11H2,1-3H3,(H,22,25);1H
• InChIKey: LSXQLCZZBJXMBI-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 71.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.34
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 120869971) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is COc1cc(Cl)c(C)cc1NC(=O)CN1CCNCC1c1nccn1C.Cl.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

The InChIKey is LSXQLCZZBJXMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2.ClH/c1-12-8-14(16(26-3)9-13(12)19)22-17(25)11-24-7-4-20-10-15(24)18-21-5-6-23(18)2;/h5-6,8-9,15,20H,4,7,10-11H2,1-3H3,(H,22,25);1H.

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 414.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120869971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).