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

C24H25F3N2O3 — CID 12961717

IUPAC8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCn1cc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H25F3N2O3/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/h4-6,9-13,16-17H,1-3,7-8,14-15H2,(H,30,31)
InChIKeyPRQCNWYWZCANLU-UHFFFAOYSA-N
MW446.47 g/mol
LogP5.75
Rot. Bonds10

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

8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid (PubChem CID 12961717) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid
PubChem CID12961717
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCn1cc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H25F3N2O3/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/h4-6,9-13,16-17H,1-3,7-8,14-15H2,(H,30,31)
InChIKeyPRQCNWYWZCANLU-UHFFFAOYSA-N
XLogP5.75
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

CID 118898844
CID 118898844
CID 127031161
CID 127031161
CID 22161394
CID 22161394
CID 14376
CID 14376
CID 10250894
CID 10250894
CID 71523643
CID 71523643
CID 2009125
CID 2009125
CID 11912405
CID 11912405
CID 310437
CID 310437
CID 3839065
CID 3839065
CID 676398
CID 676398
CID 970307
CID 970307

Frequently Asked Questions

What is the IUPAC name of 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid?
The IUPAC name of 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid (CID 12961717) is 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid.
What is the SMILES notation for 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid?
The canonical SMILES for 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-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]imidazol-1-yl]octanoic acid?
The InChIKey is PRQCNWYWZCANLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/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/h4-6,9-13,16-17H,1-3,7-8,14-15H2,(H,30,31).
What are the key properties of 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid?
8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid has a molecular weight of 446.47 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]octanoic acid is sourced from PubChem (CID 12961717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).