2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine

C14H22N6O2S — CID 120894828

IUPAC2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCNCC2c2nccn2C)c1
InChIInChI=1S/C14H22N6O2S/c1-11(2)19-9-13(17-10-19)23(21,22)20-7-4-15-8-12(20)14-16-5-6-18(14)3/h5-6,9-12,15H,4,7-8H2,1-3H3
InChIKeyIHHUVLDLJYCSFA-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.53
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine

2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine (PubChem CID 120894828) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
PubChem CID120894828
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCNCC2c2nccn2C)c1
InChIInChI=1S/C14H22N6O2S/c1-11(2)19-9-13(17-10-19)23(21,22)20-7-4-15-8-12(20)14-16-5-6-18(14)3/h5-6,9-12,15H,4,7-8H2,1-3H3
InChIKeyIHHUVLDLJYCSFA-UHFFFAOYSA-N
XLogP0.53
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine 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

1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894839
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894344
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343
N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
CID 120894744
2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120764443
2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120763011
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894990
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine (CID 120894828) is 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine is CC(C)n1cnc(S(=O)(=O)N2CCNCC2c2nccn2C)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is IHHUVLDLJYCSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-11(2)19-9-13(17-10-19)23(21,22)20-7-4-15-8-12(20)14-16-5-6-18(14)3/h5-6,9-12,15H,4,7-8H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 338.44 g/mol, XLogP of 0.53, 4 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-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 120894828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).