1-butyl-3-ethylimidazol-2-one

C9H16N2O — CID 58664400

IUPAC1-butyl-3-ethylimidazol-2-one
SMILESCCCCn1ccn(CC)c1=O
InChIInChI=1S/C9H16N2O/c1-3-5-6-11-8-7-10(4-2)9(11)12/h7-8H,3-6H2,1-2H3
InChIKeyWMTMVMLDRFMKEU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.47
Rot. Bonds4

About 1-butyl-3-ethylimidazol-2-one

1-butyl-3-ethylimidazol-2-one (PubChem CID 58664400) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-butyl-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-butyl-3-ethylimidazol-2-one
PubChem CID58664400
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-butyl-3-ethylimidazol-2-one
SMILESCCCCn1ccn(CC)c1=O
InChIInChI=1S/C9H16N2O/c1-3-5-6-11-8-7-10(4-2)9(11)12/h7-8H,3-6H2,1-2H3
InChIKeyWMTMVMLDRFMKEU-UHFFFAOYSA-N
XLogP1.47
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethylimidazol-2-one?
The IUPAC name of 1-butyl-3-ethylimidazol-2-one (CID 58664400) is 1-butyl-3-ethylimidazol-2-one.
What is the SMILES notation for 1-butyl-3-ethylimidazol-2-one?
The canonical SMILES for 1-butyl-3-ethylimidazol-2-one is CCCCn1ccn(CC)c1=O.
What is the InChIKey of 1-butyl-3-ethylimidazol-2-one?
The InChIKey is WMTMVMLDRFMKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-6-11-8-7-10(4-2)9(11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-butyl-3-ethylimidazol-2-one?
1-butyl-3-ethylimidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethylimidazol-2-one is sourced from PubChem (CID 58664400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).