N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C17H22ClN5O2 — CID 120870196

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C17H22ClN5O2/c1-22-7-6-20-17(22)14-10-19-5-8-23(14)11-16(24)21-13-9-12(18)3-4-15(13)25-2/h3-4,6-7,9,14,19H,5,8,10-11H2,1-2H3,(H,21,24)
InChIKeyUVILMHRTPBWRDT-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.67
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120870196) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120870196
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C17H22ClN5O2/c1-22-7-6-20-17(22)14-10-19-5-8-23(14)11-16(24)21-13-9-12(18)3-4-15(13)25-2/h3-4,6-7,9,14,19H,5,8,10-11H2,1-2H3,(H,21,24)
InChIKeyUVILMHRTPBWRDT-UHFFFAOYSA-N
XLogP1.67
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870948
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869971
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
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-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
1-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870133
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871149

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120870196) is N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCNCC1c1nccn1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is UVILMHRTPBWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-22-7-6-20-17(22)14-10-19-5-8-23(14)11-16(24)21-13-9-12(18)3-4-15(13)25-2/h3-4,6-7,9,14,19H,5,8,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 363.85 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120870196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).