1-ethyl-3-(2-fluoroethyl)imidazol-2-one

C7H11FN2O — CID 116624320

IUPAC1-ethyl-3-(2-fluoroethyl)imidazol-2-one
SMILESCCn1ccn(CCF)c1=O
InChIInChI=1S/C7H11FN2O/c1-2-9-5-6-10(4-3-8)7(9)11/h5-6H,2-4H2,1H3
InChIKeySKGFLEDRXPAEML-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.64
Rot. Bonds3

About 1-ethyl-3-(2-fluoroethyl)imidazol-2-one

1-ethyl-3-(2-fluoroethyl)imidazol-2-one (PubChem CID 116624320) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluoroethyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-fluoroethyl)imidazol-2-one
PubChem CID116624320
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-ethyl-3-(2-fluoroethyl)imidazol-2-one
SMILESCCn1ccn(CCF)c1=O
InChIInChI=1S/C7H11FN2O/c1-2-9-5-6-10(4-3-8)7(9)11/h5-6H,2-4H2,1H3
InChIKeySKGFLEDRXPAEML-UHFFFAOYSA-N
XLogP0.64
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-(2-fluoroethyl)imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluoroethyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-fluoroethyl)imidazol-2-one (CID 116624320) is 1-ethyl-3-(2-fluoroethyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-fluoroethyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-fluoroethyl)imidazol-2-one is CCn1ccn(CCF)c1=O.
What is the InChIKey of 1-ethyl-3-(2-fluoroethyl)imidazol-2-one?
The InChIKey is SKGFLEDRXPAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-2-9-5-6-10(4-3-8)7(9)11/h5-6H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-(2-fluoroethyl)imidazol-2-one?
1-ethyl-3-(2-fluoroethyl)imidazol-2-one has a molecular weight of 158.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluoroethyl)imidazol-2-one is sourced from PubChem (CID 116624320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).