N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C18H23Cl2N5O — CID 120871149

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCNCC1c1nccn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N5O/c1-12(14-4-3-13(19)9-15(14)20)23-17(26)11-25-8-5-21-10-16(25)18-22-6-7-24(18)2/h3-4,6-7,9,12,16,21H,5,8,10-11H2,1-2H3,(H,23,26)
InChIKeyHQJWXCNAJWMQJU-UHFFFAOYSA-N
MW396.32 g/mol
LogP2.55
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120871149) has the molecular formula C18H23Cl2N5O and a molecular weight of 396.32 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120871149
Molecular FormulaC18H23Cl2N5O
Molecular Weight396.32 g/mol
Exact Mass395.13
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCNCC1c1nccn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N5O/c1-12(14-4-3-13(19)9-15(14)20)23-17(26)11-25-8-5-21-10-16(25)18-22-6-7-24(18)2/h3-4,6-7,9,12,16,21H,5,8,10-11H2,1-2H3,(H,23,26)
InChIKeyHQJWXCNAJWMQJU-UHFFFAOYSA-N
XLogP2.55
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120869985
N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143
N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870196
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 120870751
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870482
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120871149) is N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is CC(NC(=O)CN1CCNCC1c1nccn1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is HQJWXCNAJWMQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N5O/c1-12(14-4-3-13(19)9-15(14)20)23-17(26)11-25-8-5-21-10-16(25)18-22-6-7-24(18)2/h3-4,6-7,9,12,16,21H,5,8,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 396.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120871149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).