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

C19H15FN2O2 — CID 18474516

IUPAC4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C(\Cn2ccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN2O2/c20-18-7-5-15(6-8-18)17(12-22-10-9-21-13-22)11-14-1-3-16(4-2-14)19(23)24/h1-11,13H,12H2,(H,23,24)/b17-11+
InChIKeyZBAWVGXKUNVCSX-GZTJUZNOSA-N
MW322.34 g/mol
LogP3.96
Rot. Bonds5

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

4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid (PubChem CID 18474516) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
PubChem CID18474516
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C(\Cn2ccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN2O2/c20-18-7-5-15(6-8-18)17(12-22-10-9-21-13-22)11-14-1-3-16(4-2-14)19(23)24/h1-11,13H,12H2,(H,23,24)/b17-11+
InChIKeyZBAWVGXKUNVCSX-GZTJUZNOSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

2-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 54273924
4-[(E)-2-[(4-fluorophenyl)methoxymethyl]-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 67936010
(2S)-5-amino-2-[[4-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-5-oxopentanoic acid
CID 70168851
4-[(Z)-2-(4-cyanophenyl)-3-imidazol-1-ylprop-1-enyl]benzonitrile
CID 23365327
(2S)-2-[[2-(4-fluorophenyl)-4-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]propanoic acid
CID 70168870
2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]benzoic acid
CID 18474659
(2S)-6-amino-2-[[3-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]hexanoic acid;dihydrochloride
CID 70169652
methyl 2-[[3-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-2-methyl-4-methylsulfanylbutanoate
CID 59117378
1-morpholin-4-ylpropan-2-yl (2S)-2-[[4-[2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 57146115
N-[(2S)-1-amino-4-methylsulfanyl-2-methylsulfonyl-1-oxobutan-2-yl]-3-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzamide
CID 139890136
N-[(2S)-1-amino-4-methylsulfanyl-1-oxo-2-(trifluoromethylsulfonyl)butan-2-yl]-3-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzamide
CID 139890137
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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid (CID 18474516) is 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid is O=C(O)c1ccc(/C=C(\Cn2ccnc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
The InChIKey is ZBAWVGXKUNVCSX-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-18-7-5-15(6-8-18)17(12-22-10-9-21-13-22)11-14-1-3-16(4-2-14)19(23)24/h1-11,13H,12H2,(H,23,24)/b17-11+.
What are the key properties of 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid?
4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid is sourced from PubChem (CID 18474516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).