2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one

C9H14F2N2O2 — CID 106952607

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C9H14F2N2O2/c1-2-6-9(14)13-8(12-6)3-4-15-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyGSLOJDDJTXHZLS-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.97
Rot. Bonds6

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one

2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one (PubChem CID 106952607) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one
PubChem CID106952607
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C9H14F2N2O2/c1-2-6-9(14)13-8(12-6)3-4-15-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyGSLOJDDJTXHZLS-UHFFFAOYSA-N
XLogP0.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-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 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one (CID 106952607) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one is CCC1N=C(CCOCC(F)F)NC1=O.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The InChIKey is GSLOJDDJTXHZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-2-6-9(14)13-8(12-6)3-4-15-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one?
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one has a molecular weight of 220.22 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).