2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

C16H19BrClFN4O — CID 120877315

IUPAC2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H18BrFN4O.ClH/c1-21-6-5-20-16(21)14-10-19-4-7-22(14)15(23)9-11-2-3-13(18)12(17)8-11;/h2-3,5-6,8,14,19H,4,7,9-10H2,1H3;1H
InChIKeyVSUNKHHYWHIMRI-UHFFFAOYSA-N
MW417.71 g/mol
LogP2.46
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120877315) has the molecular formula C16H19BrClFN4O and a molecular weight of 417.71 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120877315
Molecular FormulaC16H19BrClFN4O
Molecular Weight417.71 g/mol
Exact Mass416.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H18BrFN4O.ClH/c1-21-6-5-20-16(21)14-10-19-4-7-22(14)15(23)9-11-2-3-13(18)12(17)8-11;/h2-3,5-6,8,14,19H,4,7,9-10H2,1H3;1H
InChIKeyVSUNKHHYWHIMRI-UHFFFAOYSA-N
XLogP2.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride 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-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120878181
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879066
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 120877941
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
3-(4-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120877447

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (CID 120877315) is 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is VSUNKHHYWHIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4O.ClH/c1-21-6-5-20-16(21)14-10-19-4-7-22(14)15(23)9-11-2-3-13(18)12(17)8-11;/h2-3,5-6,8,14,19H,4,7,9-10H2,1H3;1H.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 417.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120877315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).