1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C19H22ClFN4O — CID 120911751

IUPAC1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H21FN4O.ClH/c1-23-10-9-22-19(23)17-12-21-8-11-24(17)13-14-6-7-18(25-14)15-4-2-3-5-16(15)20;/h2-7,9-10,17,21H,8,11-13H2,1H3;1H
InChIKeyWBDGCMBNXULFHU-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.39
Rot. Bonds4

About 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120911751) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120911751
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H21FN4O.ClH/c1-23-10-9-22-19(23)17-12-21-8-11-24(17)13-14-6-7-18(25-14)15-4-2-3-5-16(15)20;/h2-7,9-10,17,21H,8,11-13H2,1H3;1H
InChIKeyWBDGCMBNXULFHU-UHFFFAOYSA-N
XLogP3.39
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride
CID 120912503
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride
CID 120870071
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 120869705
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911954
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120911751) is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is WBDGCMBNXULFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O.ClH/c1-23-10-9-22-19(23)17-12-21-8-11-24(17)13-14-6-7-18(25-14)15-4-2-3-5-16(15)20;/h2-7,9-10,17,21H,8,11-13H2,1H3;1H.
What are the key properties of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 376.86 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120911751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).