1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone

C9H16N4O — CID 90791666

IUPAC1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=NCCN2)CC1
InChIInChI=1S/C9H16N4O/c1-8(14)12-4-6-13(7-5-12)9-10-2-3-11-9/h2-7H2,1H3,(H,10,11)
InChIKeyMLZSPWIORKKOOD-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.89
Rot. Bonds

About 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone

1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 90791666) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID90791666
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=NCCN2)CC1
InChIInChI=1S/C9H16N4O/c1-8(14)12-4-6-13(7-5-12)9-10-2-3-11-9/h2-7H2,1H3,(H,10,11)
InChIKeyMLZSPWIORKKOOD-UHFFFAOYSA-N
XLogP-0.89
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
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 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone (CID 90791666) is 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2=NCCN2)CC1.
What is the InChIKey of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is MLZSPWIORKKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8(14)12-4-6-13(7-5-12)9-10-2-3-11-9/h2-7H2,1H3,(H,10,11).
What are the key properties of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 196.25 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90791666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).