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

C30H30F4N2O5 — CID 10129032

IUPAC2-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid
SMILESCN1C(=O)N(Cc2ccc(C(F)(F)F)cc2)CC1CCOc1ccc(CC(C)(Oc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C30H30F4N2O5/c1-29(27(37)38,41-26-6-4-3-5-25(26)31)17-20-9-13-24(14-10-20)40-16-15-23-19-36(28(39)35(23)2)18-21-7-11-22(12-8-21)30(32,33)34/h3-14,23H,15-19H2,1-2H3,(H,37,38)
InChIKeyRSFNJNXVMSIBRN-UHFFFAOYSA-N
MW574.57 g/mol
LogP6.01
Rot. Bonds11

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

2-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid (PubChem CID 10129032) has the molecular formula C30H30F4N2O5 and a molecular weight of 574.57 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-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-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid
PubChem CID10129032
Molecular FormulaC30H30F4N2O5
Molecular Weight574.57 g/mol
Exact Mass574.21
IUPAC Name2-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid
SMILESCN1C(=O)N(Cc2ccc(C(F)(F)F)cc2)CC1CCOc1ccc(CC(C)(Oc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C30H30F4N2O5/c1-29(27(37)38,41-26-6-4-3-5-25(26)31)17-20-9-13-24(14-10-20)40-16-15-23-19-36(28(39)35(23)2)18-21-7-11-22(12-8-21)30(32,33)34/h3-14,23H,15-19H2,1-2H3,(H,37,38)
InChIKeyRSFNJNXVMSIBRN-UHFFFAOYSA-N
XLogP6.01
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.57
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenoxy)-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-(2-fluorophenoxy)-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-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid (CID 10129032) is 2-(2-fluorophenoxy)-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-(2-fluorophenoxy)-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-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid is CN1C(=O)N(Cc2ccc(C(F)(F)F)cc2)CC1CCOc1ccc(CC(C)(Oc2ccccc2F)C(=O)O)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is RSFNJNXVMSIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N2O5/c1-29(27(37)38,41-26-6-4-3-5-25(26)31)17-20-9-13-24(14-10-20)40-16-15-23-19-36(28(39)35(23)2)18-21-7-11-22(12-8-21)30(32,33)34/h3-14,23H,15-19H2,1-2H3,(H,37,38).
What are the key properties of 2-(2-fluorophenoxy)-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid?
2-(2-fluorophenoxy)-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 574.57 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-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 10129032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).