1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one

C15H27F3N2O3 — CID 139925676

IUPAC1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CC(C)(OC)C(C)C)CC1CC(F)(F)F
InChIInChI=1S/C15H27F3N2O3/c1-11(2)14(3,23-5)10-19-9-12(8-15(16,17)18)20(13(19)21)6-7-22-4/h11-12H,6-10H2,1-5H3
InChIKeyXONVUEUIAJLQDA-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.75
Rot. Bonds8

About 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one

1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one (PubChem CID 139925676) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one
PubChem CID139925676
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC Name1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CC(C)(OC)C(C)C)CC1CC(F)(F)F
InChIInChI=1S/C15H27F3N2O3/c1-11(2)14(3,23-5)10-19-9-12(8-15(16,17)18)20(13(19)21)6-7-22-4/h11-12H,6-10H2,1-5H3
InChIKeyXONVUEUIAJLQDA-UHFFFAOYSA-N
XLogP2.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one (CID 139925676) is 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one is COCCN1C(=O)N(CC(C)(OC)C(C)C)CC1CC(F)(F)F.
What is the InChIKey of 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The InChIKey is XONVUEUIAJLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-11(2)14(3,23-5)10-19-9-12(8-15(16,17)18)20(13(19)21)6-7-22-4/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one?
1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one has a molecular weight of 340.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 139925676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).