3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol

C21H15FN2O — CID 23881186

IUPAC3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C21H15FN2O/c22-17-11-9-15(10-12-17)20-19(14-5-2-1-3-6-14)23-21(24-20)16-7-4-8-18(25)13-16/h1-13,25H,(H,23,24)
InChIKeyRKFKCYKHLUWRPO-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.26
Rot. Bonds3

About 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol

3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol (PubChem CID 23881186) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
PubChem CID23881186
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C21H15FN2O/c22-17-11-9-15(10-12-17)20-19(14-5-2-1-3-6-14)23-21(24-20)16-7-4-8-18(25)13-16/h1-13,25H,(H,23,24)
InChIKeyRKFKCYKHLUWRPO-UHFFFAOYSA-N
XLogP5.26
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The IUPAC name of 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol (CID 23881186) is 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol is Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The InChIKey is RKFKCYKHLUWRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-17-11-9-15(10-12-17)20-19(14-5-2-1-3-6-14)23-21(24-20)16-7-4-8-18(25)13-16/h1-13,25H,(H,23,24).
What are the key properties of 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol has a molecular weight of 330.36 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 23881186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).