1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one

C15H24F6N2O3 — CID 139925734

IUPAC1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one
SMILESCCC(CN1CC(C(F)(F)F)(C(F)(F)F)N(CC(CC)OC)C1=O)OC
InChIInChI=1S/C15H24F6N2O3/c1-5-10(25-3)7-22-9-13(14(16,17)18,15(19,20)21)23(12(22)24)8-11(6-2)26-4/h10-11H,5-9H2,1-4H3
InChIKeyBSQIATANBGIMNF-UHFFFAOYSA-N
MW394.36 g/mol
LogP3.44
Rot. Bonds8

About 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one

1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one (PubChem CID 139925734) has the molecular formula C15H24F6N2O3 and a molecular weight of 394.36 g/mol. Its IUPAC name is 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one
PubChem CID139925734
Molecular FormulaC15H24F6N2O3
Molecular Weight394.36 g/mol
Exact Mass394.17
IUPAC Name1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one
SMILESCCC(CN1CC(C(F)(F)F)(C(F)(F)F)N(CC(CC)OC)C1=O)OC
InChIInChI=1S/C15H24F6N2O3/c1-5-10(25-3)7-22-9-13(14(16,17)18,15(19,20)21)23(12(22)24)8-11(6-2)26-4/h10-11H,5-9H2,1-4H3
InChIKeyBSQIATANBGIMNF-UHFFFAOYSA-N
XLogP3.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one (CID 139925734) is 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one is CCC(CN1CC(C(F)(F)F)(C(F)(F)F)N(CC(CC)OC)C1=O)OC.
What is the InChIKey of 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one?
The InChIKey is BSQIATANBGIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6N2O3/c1-5-10(25-3)7-22-9-13(14(16,17)18,15(19,20)21)23(12(22)24)8-11(6-2)26-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one?
1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one has a molecular weight of 394.36 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 139925734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).