1-butyl-4-ethylimidazole

C9H16N2 — CID 15643148

IUPAC1-butyl-4-ethylimidazole
SMILESCCCCn1cnc(CC)c1
InChIInChI=1S/C9H16N2/c1-3-5-6-11-7-9(4-2)10-8-11/h7-8H,3-6H2,1-2H3
InChIKeyRUPYGFPIGXHWLC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.25
Rot. Bonds4

About 1-butyl-4-ethylimidazole

1-butyl-4-ethylimidazole (PubChem CID 15643148) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-butyl-4-ethylimidazole.

Molecular Properties

Compound Name1-butyl-4-ethylimidazole
PubChem CID15643148
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-butyl-4-ethylimidazole
SMILESCCCCn1cnc(CC)c1
InChIInChI=1S/C9H16N2/c1-3-5-6-11-7-9(4-2)10-8-11/h7-8H,3-6H2,1-2H3
InChIKeyRUPYGFPIGXHWLC-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 1-butyl-4-ethylimidazole?
The IUPAC name of 1-butyl-4-ethylimidazole (CID 15643148) is 1-butyl-4-ethylimidazole.
What is the SMILES notation for 1-butyl-4-ethylimidazole?
The canonical SMILES for 1-butyl-4-ethylimidazole is CCCCn1cnc(CC)c1.
What is the InChIKey of 1-butyl-4-ethylimidazole?
The InChIKey is RUPYGFPIGXHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-6-11-7-9(4-2)10-8-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-butyl-4-ethylimidazole?
1-butyl-4-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 1-butyl-4-ethylimidazole is sourced from PubChem (CID 15643148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).