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

C16H14FN3O — CID 165176040

IUPAC3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
SMILESOc1cccc(NC(c2cccc(F)c2)c2cnc[nH]2)c1
InChIInChI=1S/C16H14FN3O/c17-12-4-1-3-11(7-12)16(15-9-18-10-19-15)20-13-5-2-6-14(21)8-13/h1-10,16,20-21H,(H,18,19)
InChIKeyYWQATKUREBUYPW-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.46
Rot. Bonds4

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

3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol (PubChem CID 165176040) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol.

Molecular Properties

Compound Name3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
PubChem CID165176040
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
SMILESOc1cccc(NC(c2cccc(F)c2)c2cnc[nH]2)c1
InChIInChI=1S/C16H14FN3O/c17-12-4-1-3-11(7-12)16(15-9-18-10-19-15)20-13-5-2-6-14(21)8-13/h1-10,16,20-21H,(H,18,19)
InChIKeyYWQATKUREBUYPW-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The IUPAC name of 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol (CID 165176040) is 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol.
What is the SMILES notation for 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The canonical SMILES for 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol is Oc1cccc(NC(c2cccc(F)c2)c2cnc[nH]2)c1.
What is the InChIKey of 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The InChIKey is YWQATKUREBUYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-4-1-3-11(7-12)16(15-9-18-10-19-15)20-13-5-2-6-14(21)8-13/h1-10,16,20-21H,(H,18,19).
What are the key properties of 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
3-[[(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 3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol is sourced from PubChem (CID 165176040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).