4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one

C9H15FN2O — CID 143790256

IUPAC4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(CCF)c1CC
InChIInChI=1S/C9H15FN2O/c1-3-7-8(4-2)12(6-5-10)9(13)11-7/h3-6H2,1-2H3,(H,11,13)
InChIKeyXOWNKVLTIUOFFV-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.27
Rot. Bonds4

About 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one

4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one (PubChem CID 143790256) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one
PubChem CID143790256
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(CCF)c1CC
InChIInChI=1S/C9H15FN2O/c1-3-7-8(4-2)12(6-5-10)9(13)11-7/h3-6H2,1-2H3,(H,11,13)
InChIKeyXOWNKVLTIUOFFV-UHFFFAOYSA-N
XLogP1.27
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one?
The IUPAC name of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one (CID 143790256) is 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one.
What is the SMILES notation for 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one?
The canonical SMILES for 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one is CCc1[nH]c(=O)n(CCF)c1CC.
What is the InChIKey of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one?
The InChIKey is XOWNKVLTIUOFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-3-7-8(4-2)12(6-5-10)9(13)11-7/h3-6H2,1-2H3,(H,11,13).
What are the key properties of 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one?
4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one has a molecular weight of 186.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one is sourced from PubChem (CID 143790256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).