2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol

C16H13F2N3O — CID 91513816

IUPAC2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol
SMILESOc1c(F)cc(NC(c2ccccc2)c2cnc[nH]2)cc1F
InChIInChI=1S/C16H13F2N3O/c17-12-6-11(7-13(18)16(12)22)21-15(14-8-19-9-20-14)10-4-2-1-3-5-10/h1-9,15,21-22H,(H,19,20)
InChIKeyUQZWJMZUBKOWNX-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.60
Rot. Bonds4

About 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol

2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol (PubChem CID 91513816) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol
PubChem CID91513816
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol
SMILESOc1c(F)cc(NC(c2ccccc2)c2cnc[nH]2)cc1F
InChIInChI=1S/C16H13F2N3O/c17-12-6-11(7-13(18)16(12)22)21-15(14-8-19-9-20-14)10-4-2-1-3-5-10/h1-9,15,21-22H,(H,19,20)
InChIKeyUQZWJMZUBKOWNX-UHFFFAOYSA-N
XLogP3.60
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol?
The IUPAC name of 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol (CID 91513816) is 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol?
The canonical SMILES for 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol is Oc1c(F)cc(NC(c2ccccc2)c2cnc[nH]2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol?
The InChIKey is UQZWJMZUBKOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-12-6-11(7-13(18)16(12)22)21-15(14-8-19-9-20-14)10-4-2-1-3-5-10/h1-9,15,21-22H,(H,19,20).
What are the key properties of 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol?
2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol has a molecular weight of 301.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol is sourced from PubChem (CID 91513816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).