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

C8H14N4O — CID 118616873

IUPAC2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESCN1CCN(C2=NCC(=O)N2)CC1
InChIInChI=1S/C8H14N4O/c1-11-2-4-12(5-3-11)8-9-6-7(13)10-8/h2-6H2,1H3,(H,9,10,13)
InChIKeyCDQFPFHYWKHSBX-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.28
Rot. Bonds

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

2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (PubChem CID 118616873) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
PubChem CID118616873
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESCN1CCN(C2=NCC(=O)N2)CC1
InChIInChI=1S/C8H14N4O/c1-11-2-4-12(5-3-11)8-9-6-7(13)10-8/h2-6H2,1H3,(H,9,10,13)
InChIKeyCDQFPFHYWKHSBX-UHFFFAOYSA-N
XLogP-1.28
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (CID 118616873) is 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is CN1CCN(C2=NCC(=O)N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is CDQFPFHYWKHSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11-2-4-12(5-3-11)8-9-6-7(13)10-8/h2-6H2,1H3,(H,9,10,13).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 182.23 g/mol, XLogP of -1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 118616873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).