1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium

C18H25N2+ — CID 66720081

IUPAC1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium
SMILESC=CCC1=NC(CC=C)=C(CC=C)[N+]1(CC=C)CC=C
InChIInChI=1S/C18H25N2/c1-6-11-16-17(12-7-2)20(14-9-4,15-10-5)18(19-16)13-8-3/h6-10H,1-5,11-15H2/q+1
InChIKeyQNHZULKICQCBNO-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.53
Rot. Bonds10

About 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium

1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium (PubChem CID 66720081) has the molecular formula C18H25N2+ and a molecular weight of 269.41 g/mol. Its IUPAC name is 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium.

Molecular Properties

Compound Name1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium
PubChem CID66720081
Molecular FormulaC18H25N2+
Molecular Weight269.41 g/mol
Exact Mass269.20
IUPAC Name1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium
SMILESC=CCC1=NC(CC=C)=C(CC=C)[N+]1(CC=C)CC=C
InChIInChI=1S/C18H25N2/c1-6-11-16-17(12-7-2)20(14-9-4,15-10-5)18(19-16)13-8-3/h6-10H,1-5,11-15H2/q+1
InChIKeyQNHZULKICQCBNO-UHFFFAOYSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.53
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium?
The IUPAC name of 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium (CID 66720081) is 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium.
What is the SMILES notation for 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium?
The canonical SMILES for 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium is C=CCC1=NC(CC=C)=C(CC=C)[N+]1(CC=C)CC=C.
What is the InChIKey of 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium?
The InChIKey is QNHZULKICQCBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2/c1-6-11-16-17(12-7-2)20(14-9-4,15-10-5)18(19-16)13-8-3/h6-10H,1-5,11-15H2/q+1.
What are the key properties of 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium?
1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium has a molecular weight of 269.41 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,5-pentakis(prop-2-enyl)imidazol-1-ium is sourced from PubChem (CID 66720081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).