2-butyl-1-ethenyl-4,5-dimethylimidazole

C11H18N2 — CID 163363591

IUPAC2-butyl-1-ethenyl-4,5-dimethylimidazole
SMILESC=Cn1c(CCCC)nc(C)c1C
InChIInChI=1S/C11H18N2/c1-5-7-8-11-12-9(3)10(4)13(11)6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyBYXIZVWQQGGFMB-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds4

About 2-butyl-1-ethenyl-4,5-dimethylimidazole

2-butyl-1-ethenyl-4,5-dimethylimidazole (PubChem CID 163363591) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-butyl-1-ethenyl-4,5-dimethylimidazole.

Molecular Properties

Compound Name2-butyl-1-ethenyl-4,5-dimethylimidazole
PubChem CID163363591
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-butyl-1-ethenyl-4,5-dimethylimidazole
SMILESC=Cn1c(CCCC)nc(C)c1C
InChIInChI=1S/C11H18N2/c1-5-7-8-11-12-9(3)10(4)13(11)6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyBYXIZVWQQGGFMB-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethenyl-4,5-dimethylimidazole?
The IUPAC name of 2-butyl-1-ethenyl-4,5-dimethylimidazole (CID 163363591) is 2-butyl-1-ethenyl-4,5-dimethylimidazole.
What is the SMILES notation for 2-butyl-1-ethenyl-4,5-dimethylimidazole?
The canonical SMILES for 2-butyl-1-ethenyl-4,5-dimethylimidazole is C=Cn1c(CCCC)nc(C)c1C.
What is the InChIKey of 2-butyl-1-ethenyl-4,5-dimethylimidazole?
The InChIKey is BYXIZVWQQGGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-8-11-12-9(3)10(4)13(11)6-2/h6H,2,5,7-8H2,1,3-4H3.
What are the key properties of 2-butyl-1-ethenyl-4,5-dimethylimidazole?
2-butyl-1-ethenyl-4,5-dimethylimidazole has a molecular weight of 178.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethenyl-4,5-dimethylimidazole is sourced from PubChem (CID 163363591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).