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

C11H20N4O — CID 53012068

IUPAC1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one
SMILESCCC(=O)N1CCN=C1N1CCN(C)CC1
InChIInChI=1S/C11H20N4O/c1-3-10(16)15-5-4-12-11(15)14-8-6-13(2)7-9-14/h3-9H2,1-2H3
InChIKeyCDBUCXYCSBREOY-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.16
Rot. Bonds1

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

1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one (PubChem CID 53012068) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one
PubChem CID53012068
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one
SMILESCCC(=O)N1CCN=C1N1CCN(C)CC1
InChIInChI=1S/C11H20N4O/c1-3-10(16)15-5-4-12-11(15)14-8-6-13(2)7-9-14/h3-9H2,1-2H3
InChIKeyCDBUCXYCSBREOY-UHFFFAOYSA-N
XLogP-0.16
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one (CID 53012068) is 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one is CCC(=O)N1CCN=C1N1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one?
The InChIKey is CDBUCXYCSBREOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-10(16)15-5-4-12-11(15)14-8-6-13(2)7-9-14/h3-9H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one?
1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one has a molecular weight of 224.31 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one is sourced from PubChem (CID 53012068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).