2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine

C15H28N4 — CID 10825536

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine
SMILESC=C(C)CN1CCN(CC(C)C)C(C2=NCCN2)C1
InChIInChI=1S/C15H28N4/c1-12(2)9-18-7-8-19(10-13(3)4)14(11-18)15-16-5-6-17-15/h13-14H,1,5-11H2,2-4H3,(H,16,17)
InChIKeyZJDRSUUTIHVPBM-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.21
Rot. Bonds5

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine

2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine (PubChem CID 10825536) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine
PubChem CID10825536
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine
SMILESC=C(C)CN1CCN(CC(C)C)C(C2=NCCN2)C1
InChIInChI=1S/C15H28N4/c1-12(2)9-18-7-8-19(10-13(3)4)14(11-18)15-16-5-6-17-15/h13-14H,1,5-11H2,2-4H3,(H,16,17)
InChIKeyZJDRSUUTIHVPBM-UHFFFAOYSA-N
XLogP1.21
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.21
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)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine (CID 10825536) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine is C=C(C)CN1CCN(CC(C)C)C(C2=NCCN2)C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine?
The InChIKey is ZJDRSUUTIHVPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)9-18-7-8-19(10-13(3)4)14(11-18)15-16-5-6-17-15/h13-14H,1,5-11H2,2-4H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine has a molecular weight of 264.42 g/mol, XLogP of 1.21, 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)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 10825536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).