2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid

C18H12F2N2O3 — CID 91082022

IUPAC2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=Cc2ccc(F)cc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O3/c19-13-5-1-11(2-6-13)9-15-18(25)22(10-16(23)24)17(21-15)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,23,24)
InChIKeyJBVWKWBAULPTED-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.68
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid

2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid (PubChem CID 91082022) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
PubChem CID91082022
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=Cc2ccc(F)cc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O3/c19-13-5-1-11(2-6-13)9-15-18(25)22(10-16(23)24)17(21-15)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,23,24)
InChIKeyJBVWKWBAULPTED-UHFFFAOYSA-N
XLogP2.68
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic 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-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid (CID 91082022) is 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid is O=C(O)CN1C(=O)C(=Cc2ccc(F)cc2)N=C1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid?
The InChIKey is JBVWKWBAULPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c19-13-5-1-11(2-6-13)9-15-18(25)22(10-16(23)24)17(21-15)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,23,24).
What are the key properties of 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid?
2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid has a molecular weight of 342.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid is sourced from PubChem (CID 91082022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).