2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid

C25H18F2N2O2 — CID 54273924

IUPAC2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(C=C(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C25H18F2N2O2/c26-21-6-2-18(3-7-21)20(15-29-12-11-28-16-29)13-17-1-10-23(25(30)31)24(14-17)19-4-8-22(27)9-5-19/h1-14,16H,15H2,(H,30,31)
InChIKeyRMBRFYMJCYNPQE-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.77
Rot. Bonds6

About 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid

2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid (PubChem CID 54273924) has the molecular formula C25H18F2N2O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
PubChem CID54273924
Molecular FormulaC25H18F2N2O2
Molecular Weight416.43 g/mol
Exact Mass416.13
IUPAC Name2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(C=C(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C25H18F2N2O2/c26-21-6-2-18(3-7-21)20(15-29-12-11-28-16-29)13-17-1-10-23(25(30)31)24(14-17)19-4-8-22(27)9-5-19/h1-14,16H,15H2,(H,30,31)
InChIKeyRMBRFYMJCYNPQE-UHFFFAOYSA-N
XLogP5.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]benzoic acid
CID 18474659
(2S)-2-[[2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]propanoic acid
CID 70168870
4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 18474516
methyl 2-(4-fluorophenyl)-4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]benzoate
CID 54211614
4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-pyridin-3-ylbenzoic acid
CID 22088508
(2S)-5-amino-2-[[4-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-5-oxopentanoic acid
CID 70168851
4-[2-(4-fluorophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]-2-phenylbenzoic acid
CID 70303157
2-[2-(4-fluorophenyl)ethyl]-5-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]benzamide
CID 154122611
4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 67936010
(2S)-6-amino-2-[[3-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]hexanoic acid;dihydrochloride
CID 70169652
4-[(Z)-2-(4-cyanophenyl)-3-imidazol-1-ylprop-1-enyl]benzonitrile
CID 23365327
2-[2-(4-fluorophenyl)ethyl]-5-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]-N-[(3S)-5-methylsulfanyl-2-oxo-1-phenylpentan-3-yl]benzamide
CID 139906012

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid (CID 54273924) is 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid is O=C(O)c1ccc(C=C(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The InChIKey is RMBRFYMJCYNPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O2/c26-21-6-2-18(3-7-21)20(15-29-12-11-28-16-29)13-17-1-10-23(25(30)31)24(14-17)19-4-8-22(27)9-5-19/h1-14,16H,15H2,(H,30,31).
What are the key properties of 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid has a molecular weight of 416.43 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid is sourced from PubChem (CID 54273924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).