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

C19H15FN2O2 — CID 18399524

IUPAC2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/Cc2ncc[nH]2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2/c20-15-7-5-14(6-8-15)17-12-13(4-9-16(17)19(23)24)2-1-3-18-21-10-11-22-18/h1-2,4-12H,3H2,(H,21,22)(H,23,24)/b2-1+
InChIKeyNJGUBKYKYQSOPJ-OWOJBTEDSA-N
MW322.34 g/mol
LogP4.17
Rot. Bonds5

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

2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid (PubChem CID 18399524) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid
PubChem CID18399524
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/Cc2ncc[nH]2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2/c20-15-7-5-14(6-8-15)17-12-13(4-9-16(17)19(23)24)2-1-3-18-21-10-11-22-18/h1-2,4-12H,3H2,(H,21,22)(H,23,24)/b2-1+
InChIKeyNJGUBKYKYQSOPJ-OWOJBTEDSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid (CID 18399524) is 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid is O=C(O)c1ccc(/C=C/Cc2ncc[nH]2)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
The InChIKey is NJGUBKYKYQSOPJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-15-7-5-14(6-8-15)17-12-13(4-9-16(17)19(23)24)2-1-3-18-21-10-11-22-18/h1-2,4-12H,3H2,(H,21,22)(H,23,24)/b2-1+.
What are the key properties of 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid?
2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(E)-3-(1H-imidazol-2-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 18399524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).