2-butyl-1-ethylimidazole

C9H16N2 — CID 67282762

IUPAC2-butyl-1-ethylimidazole
SMILESCCCCc1nccn1CC
InChIInChI=1S/C9H16N2/c1-3-5-6-9-10-7-8-11(9)4-2/h7-8H,3-6H2,1-2H3
InChIKeyMPQGIQFFNCKLIX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.25
Rot. Bonds4

About 2-butyl-1-ethylimidazole

2-butyl-1-ethylimidazole (PubChem CID 67282762) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-butyl-1-ethylimidazole.

Molecular Properties

Compound Name2-butyl-1-ethylimidazole
PubChem CID67282762
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-butyl-1-ethylimidazole
SMILESCCCCc1nccn1CC
InChIInChI=1S/C9H16N2/c1-3-5-6-9-10-7-8-11(9)4-2/h7-8H,3-6H2,1-2H3
InChIKeyMPQGIQFFNCKLIX-UHFFFAOYSA-N
XLogP2.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethylimidazole?
The IUPAC name of 2-butyl-1-ethylimidazole (CID 67282762) is 2-butyl-1-ethylimidazole.
What is the SMILES notation for 2-butyl-1-ethylimidazole?
The canonical SMILES for 2-butyl-1-ethylimidazole is CCCCc1nccn1CC.
What is the InChIKey of 2-butyl-1-ethylimidazole?
The InChIKey is MPQGIQFFNCKLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-6-9-10-7-8-11(9)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-butyl-1-ethylimidazole?
2-butyl-1-ethylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethylimidazole is sourced from PubChem (CID 67282762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).