1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium

C15H21N2+ — CID 66803283

IUPAC1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium
SMILESC=CCC1=C[N+](CC=C)(CC=C)C(CC=C)=N1
InChIInChI=1S/C15H21N2/c1-5-9-14-13-17(11-7-3,12-8-4)15(16-14)10-6-2/h5-8,13H,1-4,9-12H2/q+1
InChIKeyVFUUHVMYUIEZSR-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.58
Rot. Bonds8

About 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium

1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium (PubChem CID 66803283) has the molecular formula C15H21N2+ and a molecular weight of 229.35 g/mol. Its IUPAC name is 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium.

Molecular Properties

Compound Name1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium
PubChem CID66803283
Molecular FormulaC15H21N2+
Molecular Weight229.35 g/mol
Exact Mass229.17
IUPAC Name1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium
SMILESC=CCC1=C[N+](CC=C)(CC=C)C(CC=C)=N1
InChIInChI=1S/C15H21N2/c1-5-9-14-13-17(11-7-3,12-8-4)15(16-14)10-6-2/h5-8,13H,1-4,9-12H2/q+1
InChIKeyVFUUHVMYUIEZSR-UHFFFAOYSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium?
The IUPAC name of 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium (CID 66803283) is 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium.
What is the SMILES notation for 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium?
The canonical SMILES for 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium is C=CCC1=C[N+](CC=C)(CC=C)C(CC=C)=N1.
What is the InChIKey of 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium?
The InChIKey is VFUUHVMYUIEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2/c1-5-9-14-13-17(11-7-3,12-8-4)15(16-14)10-6-2/h5-8,13H,1-4,9-12H2/q+1.
What are the key properties of 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium?
1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium has a molecular weight of 229.35 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4-tetrakis(prop-2-enyl)imidazol-1-ium is sourced from PubChem (CID 66803283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).