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

C7H12N2O — CID 18338546

IUPAC4-ethyl-1,3-dimethylimidazol-2-one
SMILESCCc1cn(C)c(=O)n1C
InChIInChI=1S/C7H12N2O/c1-4-6-5-8(2)7(10)9(6)3/h5H,4H2,1-3H3
InChIKeyAQNQLSWIKDKFJL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.29
Rot. Bonds1

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

4-ethyl-1,3-dimethylimidazol-2-one (PubChem CID 18338546) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-ethyl-1,3-dimethylimidazol-2-one
PubChem CID18338546
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-ethyl-1,3-dimethylimidazol-2-one
SMILESCCc1cn(C)c(=O)n1C
InChIInChI=1S/C7H12N2O/c1-4-6-5-8(2)7(10)9(6)3/h5H,4H2,1-3H3
InChIKeyAQNQLSWIKDKFJL-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethylimidazol-2-one?
The IUPAC name of 4-ethyl-1,3-dimethylimidazol-2-one (CID 18338546) is 4-ethyl-1,3-dimethylimidazol-2-one.
What is the SMILES notation for 4-ethyl-1,3-dimethylimidazol-2-one?
The canonical SMILES for 4-ethyl-1,3-dimethylimidazol-2-one is CCc1cn(C)c(=O)n1C.
What is the InChIKey of 4-ethyl-1,3-dimethylimidazol-2-one?
The InChIKey is AQNQLSWIKDKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6-5-8(2)7(10)9(6)3/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethylimidazol-2-one?
4-ethyl-1,3-dimethylimidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethylimidazol-2-one is sourced from PubChem (CID 18338546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).