3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid

C19H15FN2O2 — CID 70302947

IUPAC3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1cccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)c1
InChIInChI=1S/C19H15FN2O2/c20-17-6-4-14(5-7-17)16(12-18-21-8-9-22-18)11-13-2-1-3-15(10-13)19(23)24/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyOESWFCOPISOKMP-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.03
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid

3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid (PubChem CID 70302947) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid
PubChem CID70302947
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1cccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)c1
InChIInChI=1S/C19H15FN2O2/c20-17-6-4-14(5-7-17)16(12-18-21-8-9-22-18)11-13-2-1-3-15(10-13)19(23)24/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyOESWFCOPISOKMP-UHFFFAOYSA-N
XLogP4.03
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid (CID 70302947) is 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid is O=C(O)c1cccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
The InChIKey is OESWFCOPISOKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-17-6-4-14(5-7-17)16(12-18-21-8-9-22-18)11-13-2-1-3-15(10-13)19(23)24/h1-11H,12H2,(H,21,22)(H,23,24).
What are the key properties of 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 70302947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).