1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one

C16H20F2N2O3 — CID 58781028

IUPAC1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one
SMILESCc1cc(F)c(N2CC(=O)N(COC3CCCCO3)C2)c(F)c1
InChIInChI=1S/C16H20F2N2O3/c1-11-6-12(17)16(13(18)7-11)19-8-14(21)20(9-19)10-23-15-4-2-3-5-22-15/h6-7,15H,2-5,8-10H2,1H3
InChIKeyPNZZBDFGHAUHFN-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.38
Rot. Bonds4

About 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one

1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one (PubChem CID 58781028) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one
PubChem CID58781028
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one
SMILESCc1cc(F)c(N2CC(=O)N(COC3CCCCO3)C2)c(F)c1
InChIInChI=1S/C16H20F2N2O3/c1-11-6-12(17)16(13(18)7-11)19-8-14(21)20(9-19)10-23-15-4-2-3-5-22-15/h6-7,15H,2-5,8-10H2,1H3
InChIKeyPNZZBDFGHAUHFN-UHFFFAOYSA-N
XLogP2.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
CID 20668665
[2-(oxan-2-yloxy)ethyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 59218791
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 21187678
2-[3-(4-fluoro-3-methylphenyl)prop-2-ynoxy]oxane
CID 59407505
2-[[3-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 67128227
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one;(5S)-1-methyl-5-[[(2S)-oxan-2-yl]oxymethyl]pyrrolidin-2-one
CID 155796944
(2S)-1-[2-fluoro-4-nitro-6-[2-(oxan-2-yloxy)ethoxy]phenyl]-2,4-dimethylpiperazine
CID 167514000
5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde
CID 154937589
(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid
CID 67946379

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one?
The IUPAC name of 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one (CID 58781028) is 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one.
What is the SMILES notation for 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one?
The canonical SMILES for 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one is Cc1cc(F)c(N2CC(=O)N(COC3CCCCO3)C2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one?
The InChIKey is PNZZBDFGHAUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-11-6-12(17)16(13(18)7-11)19-8-14(21)20(9-19)10-23-15-4-2-3-5-22-15/h6-7,15H,2-5,8-10H2,1H3.
What are the key properties of 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one?
1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one has a molecular weight of 326.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one is sourced from PubChem (CID 58781028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).