4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one

C19H26N4O3S — CID 42508382

IUPAC4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one
SMILESCC(C)Cn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H26N4O3S/c1-15(2)11-23-17(12-22-9-8-20-18(24)13-22)10-21-19(23)27(25,26)14-16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,20,24)
InChIKeyICYMCAAUQICPJC-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.44
Rot. Bonds7

About 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one

4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one (PubChem CID 42508382) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one
PubChem CID42508382
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one
SMILESCC(C)Cn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H26N4O3S/c1-15(2)11-23-17(12-22-9-8-20-18(24)13-22)10-21-19(23)27(25,26)14-16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,20,24)
InChIKeyICYMCAAUQICPJC-UHFFFAOYSA-N
XLogP1.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one (CID 42508382) is 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one is CC(C)Cn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one?
The InChIKey is ICYMCAAUQICPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15(2)11-23-17(12-22-9-8-20-18(24)13-22)10-21-19(23)27(25,26)14-16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,20,24).
What are the key properties of 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one?
4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one has a molecular weight of 390.51 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 42508382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).