2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol

C21H14F2N2O — CID 135755905

IUPAC2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C21H14F2N2O/c22-15-9-5-13(6-10-15)19-20(14-7-11-16(23)12-8-14)25-21(24-19)17-3-1-2-4-18(17)26/h1-12,26H,(H,24,25)
InChIKeyOJHJBRVPQBPXBM-UHFFFAOYSA-N
MW348.35 g/mol
LogP5.39
Rot. Bonds3

About 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol

2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol (PubChem CID 135755905) has the molecular formula C21H14F2N2O and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol
PubChem CID135755905
Molecular FormulaC21H14F2N2O
Molecular Weight348.35 g/mol
Exact Mass348.11
IUPAC Name2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C21H14F2N2O/c22-15-9-5-13(6-10-15)19-20(14-7-11-16(23)12-8-14)25-21(24-19)17-3-1-2-4-18(17)26/h1-12,26H,(H,24,25)
InChIKeyOJHJBRVPQBPXBM-UHFFFAOYSA-N
XLogP5.39
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.35
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
CID 2538348
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide
CID 70074952
[4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone
CID 2208228
4-[5-(4-fluorophenyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-1H-pyridin-2-one
CID 22574151
(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone
CID 22310518
2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
CID 139214742

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol (CID 135755905) is 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol is Oc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is OJHJBRVPQBPXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O/c22-15-9-5-13(6-10-15)19-20(14-7-11-16(23)12-8-14)25-21(24-19)17-3-1-2-4-18(17)26/h1-12,26H,(H,24,25).
What are the key properties of 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol?
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol has a molecular weight of 348.35 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 135755905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).