N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

C20H28BrN5O — CID 90561231

IUPACN-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCC(C)c1nccn1CCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H28BrN5O/c1-16(2)20-22-7-8-26(20)14-13-24-9-11-25(12-10-24)15-19(27)23-18-5-3-17(21)4-6-18/h3-8,16H,9-15H2,1-2H3,(H,23,27)
InChIKeyWLRYSTUQNBFNQB-UHFFFAOYSA-N
MW434.38 g/mol
LogP3.03
Rot. Bonds7

About N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 90561231) has the molecular formula C20H28BrN5O and a molecular weight of 434.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID90561231
Molecular FormulaC20H28BrN5O
Molecular Weight434.38 g/mol
Exact Mass433.15
IUPAC NameN-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCC(C)c1nccn1CCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H28BrN5O/c1-16(2)20-22-7-8-26(20)14-13-24-9-11-25(12-10-24)15-19(27)23-18-5-3-17(21)4-6-18/h3-8,16H,9-15H2,1-2H3,(H,23,27)
InChIKeyWLRYSTUQNBFNQB-UHFFFAOYSA-N
XLogP3.03
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90561328
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 90561223
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90494205
N-(4-nitrophenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494209
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561347
2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 90561293
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 17477048
N-(4-fluorophenyl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560761

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 90561231) is N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is CC(C)c1nccn1CCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is WLRYSTUQNBFNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN5O/c1-16(2)20-22-7-8-26(20)14-13-24-9-11-25(12-10-24)15-19(27)23-18-5-3-17(21)4-6-18/h3-8,16H,9-15H2,1-2H3,(H,23,27).
What are the key properties of N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 434.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90561231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).