2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride

C17H26ClN5O3S — CID 120870071

IUPAC2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C17H25N5O3S.ClH/c1-20-10-7-19-17(20)15-12-18-6-11-21(15)13-14-4-5-16(25-14)26(23,24)22-8-2-3-9-22;/h4-5,7,10,15,18H,2-3,6,8-9,11-13H2,1H3;1H
InChIKeyKQRHRLBOLLPNND-UHFFFAOYSA-N
MW415.95 g/mol
LogP1.37
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride (PubChem CID 120870071) has the molecular formula C17H26ClN5O3S and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride
PubChem CID120870071
Molecular FormulaC17H26ClN5O3S
Molecular Weight415.95 g/mol
Exact Mass415.14
IUPAC Name2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C17H25N5O3S.ClH/c1-20-10-7-19-17(20)15-12-18-6-11-21(15)13-14-4-5-16(25-14)26(23,24)22-8-2-3-9-22;/h4-5,7,10,15,18H,2-3,6,8-9,11-13H2,1H3;1H
InChIKeyKQRHRLBOLLPNND-UHFFFAOYSA-N
XLogP1.37
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911751
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]-1,3-benzothiazole;hydrochloride
CID 120912503
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
CID 120894552
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride (CID 120870071) is 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride?
The InChIKey is KQRHRLBOLLPNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S.ClH/c1-20-10-7-19-17(20)15-12-18-6-11-21(15)13-14-4-5-16(25-14)26(23,24)22-8-2-3-9-22;/h4-5,7,10,15,18H,2-3,6,8-9,11-13H2,1H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride has a molecular weight of 415.95 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120870071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).