1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium

C15H19N2+ — CID 142611508

IUPAC1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium
SMILESC=C[n+]1ccn(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C15H19N2/c1-4-16-9-10-17(12-16)15-7-5-14(6-8-15)11-13(2)3/h4-10,12-13H,1,11H2,2-3H3/q+1
InChIKeyHHDXLOMJBVPGOA-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.06
Rot. Bonds4

About 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium

1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium (PubChem CID 142611508) has the molecular formula C15H19N2+ and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium.

Molecular Properties

Compound Name1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium
PubChem CID142611508
Molecular FormulaC15H19N2+
Molecular Weight227.33 g/mol
Exact Mass227.15
IUPAC Name1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium
SMILESC=C[n+]1ccn(-c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C15H19N2/c1-4-16-9-10-17(12-16)15-7-5-14(6-8-15)11-13(2)3/h4-10,12-13H,1,11H2,2-3H3/q+1
InChIKeyHHDXLOMJBVPGOA-UHFFFAOYSA-N
XLogP3.06
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium?
The IUPAC name of 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium (CID 142611508) is 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium.
What is the SMILES notation for 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium?
The canonical SMILES for 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium is C=C[n+]1ccn(-c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium?
The InChIKey is HHDXLOMJBVPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2/c1-4-16-9-10-17(12-16)15-7-5-14(6-8-15)11-13(2)3/h4-10,12-13H,1,11H2,2-3H3/q+1.
What are the key properties of 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium?
1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium has a molecular weight of 227.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[4-(2-methylpropyl)phenyl]imidazol-1-ium is sourced from PubChem (CID 142611508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).