1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine

C19H28N4O2S — CID 29086896

IUPAC1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine
SMILESCCS(=O)(=O)c1ncc(CN2CCN(C)CC2)n1CCc1ccccc1
InChIInChI=1S/C19H28N4O2S/c1-3-26(24,25)19-20-15-18(16-22-13-11-21(2)12-14-22)23(19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3
InChIKeyGKPINCGZFCJJLF-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.67
Rot. Bonds7

About 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine

1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 29086896) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine
PubChem CID29086896
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine
SMILESCCS(=O)(=O)c1ncc(CN2CCN(C)CC2)n1CCc1ccccc1
InChIInChI=1S/C19H28N4O2S/c1-3-26(24,25)19-20-15-18(16-22-13-11-21(2)12-14-22)23(19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3
InChIKeyGKPINCGZFCJJLF-UHFFFAOYSA-N
XLogP1.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine (CID 29086896) is 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine is CCS(=O)(=O)c1ncc(CN2CCN(C)CC2)n1CCc1ccccc1.
What is the InChIKey of 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is GKPINCGZFCJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-3-26(24,25)19-20-15-18(16-22-13-11-21(2)12-14-22)23(19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3.
What are the key properties of 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine?
1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 376.53 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 29086896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).