1-ethenyl-3-(2-ethylhexyl)-2H-imidazole

C13H24N2 — CID 123232933

IUPAC1-ethenyl-3-(2-ethylhexyl)-2H-imidazole
SMILESC=CN1C=CN(CC(CC)CCCC)C1
InChIInChI=1S/C13H24N2/c1-4-7-8-13(5-2)11-15-10-9-14(6-3)12-15/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
InChIKeyKQIBMNBXCWHDME-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.39
Rot. Bonds7

About 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole

1-ethenyl-3-(2-ethylhexyl)-2H-imidazole (PubChem CID 123232933) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-(2-ethylhexyl)-2H-imidazole
PubChem CID123232933
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-ethenyl-3-(2-ethylhexyl)-2H-imidazole
SMILESC=CN1C=CN(CC(CC)CCCC)C1
InChIInChI=1S/C13H24N2/c1-4-7-8-13(5-2)11-15-10-9-14(6-3)12-15/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
InChIKeyKQIBMNBXCWHDME-UHFFFAOYSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole 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-ethenyl-3-(2-ethylhexyl)-2H-imidazole?
The IUPAC name of 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole (CID 123232933) is 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole is C=CN1C=CN(CC(CC)CCCC)C1.
What is the InChIKey of 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole?
The InChIKey is KQIBMNBXCWHDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-7-8-13(5-2)11-15-10-9-14(6-3)12-15/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole?
1-ethenyl-3-(2-ethylhexyl)-2H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(2-ethylhexyl)-2H-imidazole is sourced from PubChem (CID 123232933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).