2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one

C12H14F2N2O2 — CID 115282046

IUPAC2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one
SMILESCCN1C(=O)CNC1c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O2/c1-2-16-10(17)7-15-11(16)8-5-3-4-6-9(8)18-12(13)14/h3-6,11-12,15H,2,7H2,1H3
InChIKeyGHPINLDHZXFHTL-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.74
Rot. Bonds4

About 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one

2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one (PubChem CID 115282046) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one
PubChem CID115282046
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one
SMILESCCN1C(=O)CNC1c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O2/c1-2-16-10(17)7-15-11(16)8-5-3-4-6-9(8)18-12(13)14/h3-6,11-12,15H,2,7H2,1H3
InChIKeyGHPINLDHZXFHTL-UHFFFAOYSA-N
XLogP1.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-3-[(1-methylcyclopentyl)methyl]imidazolidin-4-one
CID 83262864
2-[2-(difluoromethoxy)phenyl]-5-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83248755
ethyl (6S)-6-[2-(difluoromethoxy)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 2386551
2-(2-methoxyphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83244014
2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282336
2-methoxyethyl (6S)-6-[2-(difluoromethoxy)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 9449006
3-(4-methylpentyl)-2-(2-methylphenyl)imidazolidin-4-one
CID 83254947
3-[2-(difluoromethoxy)phenyl]-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66226181
5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one
CID 138389017
2-(2-fluorophenyl)-3-(1-methoxybutan-2-yl)imidazolidin-4-one
CID 83259041
(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187151
2-(2-iodophenyl)-3-methylimidazolidin-4-one
CID 130709020

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one (CID 115282046) is 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one is CCN1C(=O)CNC1c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one?
The InChIKey is GHPINLDHZXFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-2-16-10(17)7-15-11(16)8-5-3-4-6-9(8)18-12(13)14/h3-6,11-12,15H,2,7H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one?
2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one has a molecular weight of 256.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one is sourced from PubChem (CID 115282046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).