1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one

C17H24N4O — CID 117484248

IUPAC1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C17H24N4O/c1-14-13-19(2)17(22)21(14)16-5-3-4-15(12-16)6-9-20-10-7-18-8-11-20/h3-5,12-13,18H,6-11H2,1-2H3
InChIKeyQZLOQAUFQOBMFS-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.93
Rot. Bonds4

About 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one

1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one (PubChem CID 117484248) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one
PubChem CID117484248
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C17H24N4O/c1-14-13-19(2)17(22)21(14)16-5-3-4-15(12-16)6-9-20-10-7-18-8-11-20/h3-5,12-13,18H,6-11H2,1-2H3
InChIKeyQZLOQAUFQOBMFS-UHFFFAOYSA-N
XLogP0.93
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1,4-dimethyl-3-(3-piperidin-3-ylphenyl)imidazol-2-one
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bis(1-(2-phenylethyl)piperazine);dihydrochloride
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1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
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1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
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CID 82264462

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one?
The IUPAC name of 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one (CID 117484248) is 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one?
The canonical SMILES for 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one is Cc1cn(C)c(=O)n1-c1cccc(CCN2CCNCC2)c1.
What is the InChIKey of 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one?
The InChIKey is QZLOQAUFQOBMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-13-19(2)17(22)21(14)16-5-3-4-15(12-16)6-9-20-10-7-18-8-11-20/h3-5,12-13,18H,6-11H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one?
1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one has a molecular weight of 300.41 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-[3-(2-piperazin-1-ylethyl)phenyl]imidazol-2-one is sourced from PubChem (CID 117484248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).