2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol

C16H14FN3O — CID 69014905

IUPAC2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol
SMILESOc1ccc(NCC2=NCN=C2c2ccccc2)cc1F
InChIInChI=1S/C16H14FN3O/c17-13-8-12(6-7-15(13)21)18-9-14-16(20-10-19-14)11-4-2-1-3-5-11/h1-8,18,21H,9-10H2
InChIKeyDYOCDHHDKAQCMC-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.84
Rot. Bonds4

About 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol

2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol (PubChem CID 69014905) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol
PubChem CID69014905
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol
SMILESOc1ccc(NCC2=NCN=C2c2ccccc2)cc1F
InChIInChI=1S/C16H14FN3O/c17-13-8-12(6-7-15(13)21)18-9-14-16(20-10-19-14)11-4-2-1-3-5-11/h1-8,18,21H,9-10H2
InChIKeyDYOCDHHDKAQCMC-UHFFFAOYSA-N
XLogP2.84
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol (CID 69014905) is 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol is Oc1ccc(NCC2=NCN=C2c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol?
The InChIKey is DYOCDHHDKAQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-8-12(6-7-15(13)21)18-9-14-16(20-10-19-14)11-4-2-1-3-5-11/h1-8,18,21H,9-10H2.
What are the key properties of 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol?
2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol has a molecular weight of 283.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-phenyl-2H-imidazol-4-yl)methylamino]phenol is sourced from PubChem (CID 69014905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).