4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one

C10H16N4O3 — CID 90842977

IUPAC4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one
SMILESCN1CCN(C(=O)Cc2[nH]c(=O)[nH]c2O)CC1
InChIInChI=1S/C10H16N4O3/c1-13-2-4-14(5-3-13)8(15)6-7-9(16)12-10(17)11-7/h16H,2-6H2,1H3,(H2,11,12,17)
InChIKeyLLVMZYJPJYAMFX-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.27
Rot. Bonds2

About 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one

4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one (PubChem CID 90842977) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one
PubChem CID90842977
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one
SMILESCN1CCN(C(=O)Cc2[nH]c(=O)[nH]c2O)CC1
InChIInChI=1S/C10H16N4O3/c1-13-2-4-14(5-3-13)8(15)6-7-9(16)12-10(17)11-7/h16H,2-6H2,1H3,(H2,11,12,17)
InChIKeyLLVMZYJPJYAMFX-UHFFFAOYSA-N
XLogP-1.27
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one (CID 90842977) is 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one is CN1CCN(C(=O)Cc2[nH]c(=O)[nH]c2O)CC1.
What is the InChIKey of 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is LLVMZYJPJYAMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-2-4-14(5-3-13)8(15)6-7-9(16)12-10(17)11-7/h16H,2-6H2,1H3,(H2,11,12,17).
What are the key properties of 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one?
4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 240.26 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 90842977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).