1,3-dibutyl-4-ethylimidazol-2-one

C13H24N2O — CID 166445280

IUPAC1,3-dibutyl-4-ethylimidazol-2-one
SMILESCCCCn1cc(CC)n(CCCC)c1=O
InChIInChI=1S/C13H24N2O/c1-4-7-9-14-11-12(6-3)15(13(14)16)10-8-5-2/h11H,4-10H2,1-3H3
InChIKeyHLASBRSDJYZSME-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.81
Rot. Bonds7

About 1,3-dibutyl-4-ethylimidazol-2-one

1,3-dibutyl-4-ethylimidazol-2-one (PubChem CID 166445280) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-dibutyl-4-ethylimidazol-2-one.

Molecular Properties

Compound Name1,3-dibutyl-4-ethylimidazol-2-one
PubChem CID166445280
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,3-dibutyl-4-ethylimidazol-2-one
SMILESCCCCn1cc(CC)n(CCCC)c1=O
InChIInChI=1S/C13H24N2O/c1-4-7-9-14-11-12(6-3)15(13(14)16)10-8-5-2/h11H,4-10H2,1-3H3
InChIKeyHLASBRSDJYZSME-UHFFFAOYSA-N
XLogP2.81
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-4-ethylimidazol-2-one?
The IUPAC name of 1,3-dibutyl-4-ethylimidazol-2-one (CID 166445280) is 1,3-dibutyl-4-ethylimidazol-2-one.
What is the SMILES notation for 1,3-dibutyl-4-ethylimidazol-2-one?
The canonical SMILES for 1,3-dibutyl-4-ethylimidazol-2-one is CCCCn1cc(CC)n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutyl-4-ethylimidazol-2-one?
The InChIKey is HLASBRSDJYZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-7-9-14-11-12(6-3)15(13(14)16)10-8-5-2/h11H,4-10H2,1-3H3.
What are the key properties of 1,3-dibutyl-4-ethylimidazol-2-one?
1,3-dibutyl-4-ethylimidazol-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-4-ethylimidazol-2-one is sourced from PubChem (CID 166445280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).