2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine

C14H26N4 — CID 10682143

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC(C)C)C(C2=NCCN2)C1
InChIInChI=1S/C14H26N4/c1-4-7-17-8-9-18(10-12(2)3)13(11-17)14-15-5-6-16-14/h4,12-13H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyPVRVPVBHZXGPQK-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.82
Rot. Bonds5

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine

2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine (PubChem CID 10682143) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine
PubChem CID10682143
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC(C)C)C(C2=NCCN2)C1
InChIInChI=1S/C14H26N4/c1-4-7-17-8-9-18(10-12(2)3)13(11-17)14-15-5-6-16-14/h4,12-13H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyPVRVPVBHZXGPQK-UHFFFAOYSA-N
XLogP0.82
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine (CID 10682143) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine is C=CCN1CCN(CC(C)C)C(C2=NCCN2)C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine?
The InChIKey is PVRVPVBHZXGPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-17-8-9-18(10-12(2)3)13(11-17)14-15-5-6-16-14/h4,12-13H,1,5-11H2,2-3H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine is sourced from PubChem (CID 10682143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).