2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid

C25H29F3N2O5 — CID 10152255

IUPAC2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid
SMILESCOC(C)(Cc1ccc(OCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2C)cc1)C(=O)O
InChIInChI=1S/C25H29F3N2O5/c1-24(34-3,22(31)32)14-17-6-10-21(11-7-17)35-13-12-20-16-30(23(33)29(20)2)15-18-4-8-19(9-5-18)25(26,27)28/h4-11,20H,12-16H2,1-3H3,(H,31,32)
InChIKeyZMIBMKKPWFXVIR-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.44
Rot. Bonds10

About 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid

2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid (PubChem CID 10152255) has the molecular formula C25H29F3N2O5 and a molecular weight of 494.51 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid
PubChem CID10152255
Molecular FormulaC25H29F3N2O5
Molecular Weight494.51 g/mol
Exact Mass494.20
IUPAC Name2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid
SMILESCOC(C)(Cc1ccc(OCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2C)cc1)C(=O)O
InChIInChI=1S/C25H29F3N2O5/c1-24(34-3,22(31)32)14-17-6-10-21(11-7-17)35-13-12-20-16-30(23(33)29(20)2)15-18-4-8-19(9-5-18)25(26,27)28/h4-11,20H,12-16H2,1-3H3,(H,31,32)
InChIKeyZMIBMKKPWFXVIR-UHFFFAOYSA-N
XLogP4.44
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid 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 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid (CID 10152255) is 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid is COC(C)(Cc1ccc(OCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2C)cc1)C(=O)O.
What is the InChIKey of 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is ZMIBMKKPWFXVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O5/c1-24(34-3,22(31)32)14-17-6-10-21(11-7-17)35-13-12-20-16-30(23(33)29(20)2)15-18-4-8-19(9-5-18)25(26,27)28/h4-11,20H,12-16H2,1-3H3,(H,31,32).
What are the key properties of 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid?
2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 494.51 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10152255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).