4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol

C16H14FN3O — CID 165176038

IUPAC4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
SMILESOc1ccc(NC(c2cccc(F)c2)c2cnc[nH]2)cc1
InChIInChI=1S/C16H14FN3O/c17-12-3-1-2-11(8-12)16(15-9-18-10-19-15)20-13-4-6-14(21)7-5-13/h1-10,16,20-21H,(H,18,19)
InChIKeyQWMJXEKDIYARLM-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.46
Rot. Bonds4

About 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol

4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol (PubChem CID 165176038) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol.

Molecular Properties

Compound Name4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
PubChem CID165176038
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
SMILESOc1ccc(NC(c2cccc(F)c2)c2cnc[nH]2)cc1
InChIInChI=1S/C16H14FN3O/c17-12-3-1-2-11(8-12)16(15-9-18-10-19-15)20-13-4-6-14(21)7-5-13/h1-10,16,20-21H,(H,18,19)
InChIKeyQWMJXEKDIYARLM-UHFFFAOYSA-N
XLogP3.46
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.46
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 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The IUPAC name of 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol (CID 165176038) is 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol.
What is the SMILES notation for 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The canonical SMILES for 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol is Oc1ccc(NC(c2cccc(F)c2)c2cnc[nH]2)cc1.
What is the InChIKey of 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The InChIKey is QWMJXEKDIYARLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-3-1-2-11(8-12)16(15-9-18-10-19-15)20-13-4-6-14(21)7-5-13/h1-10,16,20-21H,(H,18,19).
What are the key properties of 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol has a molecular weight of 283.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol is sourced from PubChem (CID 165176038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).