4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol

C24H21FN2O — CID 57276707

IUPAC4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol
SMILESOc1ccc(CC(Cc2cccc(-c3ncc[nH]3)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O/c25-22-8-6-19(7-9-22)21(14-17-4-10-23(28)11-5-17)16-18-2-1-3-20(15-18)24-26-12-13-27-24/h1-13,15,21,28H,14,16H2,(H,26,27)
InChIKeyKQSDYSPZOPYMKM-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.49
Rot. Bonds6

About 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol

4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol (PubChem CID 57276707) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol
PubChem CID57276707
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol
SMILESOc1ccc(CC(Cc2cccc(-c3ncc[nH]3)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O/c25-22-8-6-19(7-9-22)21(14-17-4-10-23(28)11-5-17)16-18-2-1-3-20(15-18)24-26-12-13-27-24/h1-13,15,21,28H,14,16H2,(H,26,27)
InChIKeyKQSDYSPZOPYMKM-UHFFFAOYSA-N
XLogP5.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
The IUPAC name of 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol (CID 57276707) is 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
The canonical SMILES for 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol is Oc1ccc(CC(Cc2cccc(-c3ncc[nH]3)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
The InChIKey is KQSDYSPZOPYMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-22-8-6-19(7-9-22)21(14-17-4-10-23(28)11-5-17)16-18-2-1-3-20(15-18)24-26-12-13-27-24/h1-13,15,21,28H,14,16H2,(H,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol has a molecular weight of 372.44 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-3-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol is sourced from PubChem (CID 57276707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).