2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one

C9H16N4O — CID 118617349

IUPAC2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESCCN1CCN(C2=NCC(=O)N2)CC1
InChIInChI=1S/C9H16N4O/c1-2-12-3-5-13(6-4-12)9-10-7-8(14)11-9/h2-7H2,1H3,(H,10,11,14)
InChIKeyZDTDZUVTERKMFZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.89
Rot. Bonds1

About 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one

2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (PubChem CID 118617349) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
PubChem CID118617349
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESCCN1CCN(C2=NCC(=O)N2)CC1
InChIInChI=1S/C9H16N4O/c1-2-12-3-5-13(6-4-12)9-10-7-8(14)11-9/h2-7H2,1H3,(H,10,11,14)
InChIKeyZDTDZUVTERKMFZ-UHFFFAOYSA-N
XLogP-0.89
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (CID 118617349) is 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is CCN1CCN(C2=NCC(=O)N2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is ZDTDZUVTERKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-12-3-5-13(6-4-12)9-10-7-8(14)11-9/h2-7H2,1H3,(H,10,11,14).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 196.25 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 118617349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).