8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid

C24H27F3N2O3 — CID 70520002

IUPAC8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCN1CC(c2ccccc2)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H27F3N2O3/c25-24(26,27)19-12-9-13-20(16-19)29-21(18-10-5-4-6-11-18)17-28(23(29)32)15-8-3-1-2-7-14-22(30)31/h4-6,9-13,16,21H,1-3,7-8,14-15,17H2,(H,30,31)
InChIKeyMKLBMXAQSGTOEF-UHFFFAOYSA-N
MW448.49 g/mol
LogP6.11
Rot. Bonds10

About 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid

8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid (PubChem CID 70520002) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid
PubChem CID70520002
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCN1CC(c2ccccc2)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H27F3N2O3/c25-24(26,27)19-12-9-13-20(16-19)29-21(18-10-5-4-6-11-18)17-28(23(29)32)15-8-3-1-2-7-14-22(30)31/h4-6,9-13,16,21H,1-3,7-8,14-15,17H2,(H,30,31)
InChIKeyMKLBMXAQSGTOEF-UHFFFAOYSA-N
XLogP6.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid?
The IUPAC name of 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid (CID 70520002) is 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid.
What is the SMILES notation for 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid?
The canonical SMILES for 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid is O=C(O)CCCCCCCN1CC(c2ccccc2)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid?
The InChIKey is MKLBMXAQSGTOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c25-24(26,27)19-12-9-13-20(16-19)29-21(18-10-5-4-6-11-18)17-28(23(29)32)15-8-3-1-2-7-14-22(30)31/h4-6,9-13,16,21H,1-3,7-8,14-15,17H2,(H,30,31).
What are the key properties of 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid?
8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid has a molecular weight of 448.49 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid is sourced from PubChem (CID 70520002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).