3-ethyl-1,4-dimethylimidazol-2-one

C7H12N2O — CID 59571529

IUPAC3-ethyl-1,4-dimethylimidazol-2-one
SMILESCCn1c(C)cn(C)c1=O
InChIInChI=1S/C7H12N2O/c1-4-9-6(2)5-8(3)7(9)10/h5H,4H2,1-3H3
InChIKeyBFYMKDPVVJAZLE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.52
Rot. Bonds1

About 3-ethyl-1,4-dimethylimidazol-2-one

3-ethyl-1,4-dimethylimidazol-2-one (PubChem CID 59571529) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-ethyl-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-1,4-dimethylimidazol-2-one
PubChem CID59571529
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-ethyl-1,4-dimethylimidazol-2-one
SMILESCCn1c(C)cn(C)c1=O
InChIInChI=1S/C7H12N2O/c1-4-9-6(2)5-8(3)7(9)10/h5H,4H2,1-3H3
InChIKeyBFYMKDPVVJAZLE-UHFFFAOYSA-N
XLogP0.52
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-ethyl-1,4-dimethylimidazol-2-one (CID 59571529) is 3-ethyl-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-ethyl-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-ethyl-1,4-dimethylimidazol-2-one is CCn1c(C)cn(C)c1=O.
What is the InChIKey of 3-ethyl-1,4-dimethylimidazol-2-one?
The InChIKey is BFYMKDPVVJAZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-9-6(2)5-8(3)7(9)10/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,4-dimethylimidazol-2-one?
3-ethyl-1,4-dimethylimidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 59571529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).