1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine

C9H18N4 — CID 121472706

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine
SMILESCCN1CCN(C2=NCCN2)CC1
InChIInChI=1S/C9H18N4/c1-2-12-5-7-13(8-6-12)9-10-3-4-11-9/h2-8H2,1H3,(H,10,11)
InChIKeyHOMWFFAYDLGSTQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.42
Rot. Bonds1

About 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine

1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine (PubChem CID 121472706) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine
PubChem CID121472706
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine
SMILESCCN1CCN(C2=NCCN2)CC1
InChIInChI=1S/C9H18N4/c1-2-12-5-7-13(8-6-12)9-10-3-4-11-9/h2-8H2,1H3,(H,10,11)
InChIKeyHOMWFFAYDLGSTQ-UHFFFAOYSA-N
XLogP-0.42
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine (CID 121472706) is 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine is CCN1CCN(C2=NCCN2)CC1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine?
The InChIKey is HOMWFFAYDLGSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-2-12-5-7-13(8-6-12)9-10-3-4-11-9/h2-8H2,1H3,(H,10,11).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine?
1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine has a molecular weight of 182.27 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine is sourced from PubChem (CID 121472706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).