N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C16H20ClN5O — CID 120871305

IUPACN-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H20ClN5O/c1-21-7-6-19-16(21)14-10-18-5-8-22(14)11-15(23)20-13-4-2-3-12(17)9-13/h2-4,6-7,9,14,18H,5,8,10-11H2,1H3,(H,20,23)
InChIKeyKYNYPCQLZXBNQN-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.66
Rot. Bonds4

About N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120871305) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120871305
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H20ClN5O/c1-21-7-6-19-16(21)14-10-18-5-8-22(14)11-15(23)20-13-4-2-3-12(17)9-13/h2-4,6-7,9,14,18H,5,8,10-11H2,1H3,(H,20,23)
InChIKeyKYNYPCQLZXBNQN-UHFFFAOYSA-N
XLogP1.66
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
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
CID 120870144
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
N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871149
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120871305) is N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is Cn1ccnc1C1CNCCN1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is KYNYPCQLZXBNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-21-7-6-19-16(21)14-10-18-5-8-22(14)11-15(23)20-13-4-2-3-12(17)9-13/h2-4,6-7,9,14,18H,5,8,10-11H2,1H3,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120871305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).