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

C9H14N2 — CID 163363596

IUPAC1-ethenyl-2-ethyl-4,5-dimethylimidazole
SMILESC=Cn1c(CC)nc(C)c1C
InChIInChI=1S/C9H14N2/c1-5-9-10-7(3)8(4)11(9)6-2/h6H,2,5H2,1,3-4H3
InChIKeyIUENOUBLROMMEW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

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

1-ethenyl-2-ethyl-4,5-dimethylimidazole (PubChem CID 163363596) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-ethenyl-2-ethyl-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-ethenyl-2-ethyl-4,5-dimethylimidazole
PubChem CID163363596
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-ethenyl-2-ethyl-4,5-dimethylimidazole
SMILESC=Cn1c(CC)nc(C)c1C
InChIInChI=1S/C9H14N2/c1-5-9-10-7(3)8(4)11(9)6-2/h6H,2,5H2,1,3-4H3
InChIKeyIUENOUBLROMMEW-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethyl-4,5-dimethylimidazole?
The IUPAC name of 1-ethenyl-2-ethyl-4,5-dimethylimidazole (CID 163363596) is 1-ethenyl-2-ethyl-4,5-dimethylimidazole.
What is the SMILES notation for 1-ethenyl-2-ethyl-4,5-dimethylimidazole?
The canonical SMILES for 1-ethenyl-2-ethyl-4,5-dimethylimidazole is C=Cn1c(CC)nc(C)c1C.
What is the InChIKey of 1-ethenyl-2-ethyl-4,5-dimethylimidazole?
The InChIKey is IUENOUBLROMMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-9-10-7(3)8(4)11(9)6-2/h6H,2,5H2,1,3-4H3.
What are the key properties of 1-ethenyl-2-ethyl-4,5-dimethylimidazole?
1-ethenyl-2-ethyl-4,5-dimethylimidazole has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethyl-4,5-dimethylimidazole is sourced from PubChem (CID 163363596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).