3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one

C12H21F3N2O3 — CID 139925750

IUPAC3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CC(C)(C)OC)CC1C(F)(F)F
InChIInChI=1S/C12H21F3N2O3/c1-11(2,20-4)8-16-7-9(12(13,14)15)17(10(16)18)5-6-19-3/h9H,5-8H2,1-4H3
InChIKeyKHJGSIGJNPCPSN-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.73
Rot. Bonds6

About 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one

3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 139925750) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID139925750
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CC(C)(C)OC)CC1C(F)(F)F
InChIInChI=1S/C12H21F3N2O3/c1-11(2,20-4)8-16-7-9(12(13,14)15)17(10(16)18)5-6-19-3/h9H,5-8H2,1-4H3
InChIKeyKHJGSIGJNPCPSN-UHFFFAOYSA-N
XLogP1.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one (CID 139925750) is 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one is COCCN1C(=O)N(CC(C)(C)OC)CC1C(F)(F)F.
What is the InChIKey of 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is KHJGSIGJNPCPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-11(2,20-4)8-16-7-9(12(13,14)15)17(10(16)18)5-6-19-3/h9H,5-8H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one?
3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 298.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 139925750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).