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

C24H21FN2O — CID 56989442

IUPAC3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol
SMILESOc1cccc(CC(Cc2ccc(F)cc2)c2cccc(-c3ncc[nH]3)c2)c1
InChIInChI=1S/C24H21FN2O/c25-22-9-7-17(8-10-22)13-21(14-18-3-1-6-23(28)15-18)19-4-2-5-20(16-19)24-26-11-12-27-24/h1-12,15-16,21,28H,13-14H2,(H,26,27)
InChIKeyVOISDRJWLTUVQP-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.49
Rot. Bonds6

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

3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol (PubChem CID 56989442) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol
PubChem CID56989442
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol
SMILESOc1cccc(CC(Cc2ccc(F)cc2)c2cccc(-c3ncc[nH]3)c2)c1
InChIInChI=1S/C24H21FN2O/c25-22-9-7-17(8-10-22)13-21(14-18-3-1-6-23(28)15-18)19-4-2-5-20(16-19)24-26-11-12-27-24/h1-12,15-16,21,28H,13-14H2,(H,26,27)
InChIKeyVOISDRJWLTUVQP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
The IUPAC name of 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol (CID 56989442) is 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol is Oc1cccc(CC(Cc2ccc(F)cc2)c2cccc(-c3ncc[nH]3)c2)c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
The InChIKey is VOISDRJWLTUVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-22-9-7-17(8-10-22)13-21(14-18-3-1-6-23(28)15-18)19-4-2-5-20(16-19)24-26-11-12-27-24/h1-12,15-16,21,28H,13-14H2,(H,26,27).
What are the key properties of 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol?
3-[3-(4-fluorophenyl)-2-[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 3-[3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)phenyl]propyl]phenol is sourced from PubChem (CID 56989442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).