1,3,4,5-tetraethylimidazol-2-one

C11H20N2O — CID 67590710

IUPAC1,3,4,5-tetraethylimidazol-2-one
SMILESCCc1c(CC)n(CC)c(=O)n1CC
InChIInChI=1S/C11H20N2O/c1-5-9-10(6-2)13(8-4)11(14)12(9)7-3/h5-8H2,1-4H3
InChIKeyCPFCYUNPJPWKAA-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.81
Rot. Bonds4

About 1,3,4,5-tetraethylimidazol-2-one

1,3,4,5-tetraethylimidazol-2-one (PubChem CID 67590710) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3,4,5-tetraethylimidazol-2-one.

Molecular Properties

Compound Name1,3,4,5-tetraethylimidazol-2-one
PubChem CID67590710
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,3,4,5-tetraethylimidazol-2-one
SMILESCCc1c(CC)n(CC)c(=O)n1CC
InChIInChI=1S/C11H20N2O/c1-5-9-10(6-2)13(8-4)11(14)12(9)7-3/h5-8H2,1-4H3
InChIKeyCPFCYUNPJPWKAA-UHFFFAOYSA-N
XLogP1.81
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetraethylimidazol-2-one?
The IUPAC name of 1,3,4,5-tetraethylimidazol-2-one (CID 67590710) is 1,3,4,5-tetraethylimidazol-2-one.
What is the SMILES notation for 1,3,4,5-tetraethylimidazol-2-one?
The canonical SMILES for 1,3,4,5-tetraethylimidazol-2-one is CCc1c(CC)n(CC)c(=O)n1CC.
What is the InChIKey of 1,3,4,5-tetraethylimidazol-2-one?
The InChIKey is CPFCYUNPJPWKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9-10(6-2)13(8-4)11(14)12(9)7-3/h5-8H2,1-4H3.
What are the key properties of 1,3,4,5-tetraethylimidazol-2-one?
1,3,4,5-tetraethylimidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetraethylimidazol-2-one is sourced from PubChem (CID 67590710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).