2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine

C13H22N4 — CID 10799723

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine
SMILESC=CCN1CCN(CC=C)C(C2=NCCN2)C1
InChIInChI=1S/C13H22N4/c1-3-7-16-9-10-17(8-4-2)12(11-16)13-14-5-6-15-13/h3-4,12H,1-2,5-11H2,(H,14,15)
InChIKeyIGKWSRWDQLIUPW-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.35
Rot. Bonds5

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine

2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine (PubChem CID 10799723) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine
PubChem CID10799723
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine
SMILESC=CCN1CCN(CC=C)C(C2=NCCN2)C1
InChIInChI=1S/C13H22N4/c1-3-7-16-9-10-17(8-4-2)12(11-16)13-14-5-6-15-13/h3-4,12H,1-2,5-11H2,(H,14,15)
InChIKeyIGKWSRWDQLIUPW-UHFFFAOYSA-N
XLogP0.35
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 9859549
CID 9859549
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine
CID 10682143
2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylprop-2-enyl)piperazine
CID 10801470
2-(4,5-dihydro-1H-imidazol-2-yl)-4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperazine
CID 10825536
2-(1-Prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine
CID 67728757
N-[2-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 67842573
N-[1-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 68425661
1-(1-Prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine
CID 69238787
(E)-N-[1-amino-3-(3,5-dimethylpiperazin-1-yl)-3-iminopropylidene]-N'-methylbut-2-enimidamide
CID 123214432
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
1-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-ethenyl-4,5-dihydroimidazole
CID 169054232
(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-di(propan-2-yl)piperazine
CID 10490142

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine (CID 10799723) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine is C=CCN1CCN(CC=C)C(C2=NCCN2)C1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine?
The InChIKey is IGKWSRWDQLIUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-7-16-9-10-17(8-4-2)12(11-16)13-14-5-6-15-13/h3-4,12H,1-2,5-11H2,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine has a molecular weight of 234.35 g/mol, XLogP of 0.35, 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)-1,4-bis(prop-2-enyl)piperazine is sourced from PubChem (CID 10799723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).