2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C17H20F3N5O — CID 120870665

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N5O/c1-24-8-7-22-16(24)14-10-21-6-9-25(14)11-15(26)23-13-4-2-12(3-5-13)17(18,19)20/h2-5,7-8,14,21H,6,9-11H2,1H3,(H,23,26)
InChIKeyOTWHEBMZYOAWQN-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.02
Rot. Bonds4

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 120870665) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID120870665
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N5O/c1-24-8-7-22-16(24)14-10-21-6-9-25(14)11-15(26)23-13-4-2-12(3-5-13)17(18,19)20/h2-5,7-8,14,21H,6,9-11H2,1H3,(H,23,26)
InChIKeyOTWHEBMZYOAWQN-UHFFFAOYSA-N
XLogP2.02
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
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-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120870835
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143
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
N-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936
N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 120870665) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is Cn1ccnc1C1CNCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OTWHEBMZYOAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-24-8-7-22-16(24)14-10-21-6-9-25(14)11-15(26)23-13-4-2-12(3-5-13)17(18,19)20/h2-5,7-8,14,21H,6,9-11H2,1H3,(H,23,26).
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 120870665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).