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

C16H13F2N3O — CID 165176039

IUPAC4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
SMILESOc1ccc(F)c(NC(c2cccc(F)c2)c2cnc[nH]2)c1
InChIInChI=1S/C16H13F2N3O/c17-11-3-1-2-10(6-11)16(15-8-19-9-20-15)21-14-7-12(22)4-5-13(14)18/h1-9,16,21-22H,(H,19,20)
InChIKeyPOTWAFIZLYRODI-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.60
Rot. Bonds4

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

4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol (PubChem CID 165176039) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol.

Molecular Properties

Compound Name4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
PubChem CID165176039
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol
SMILESOc1ccc(F)c(NC(c2cccc(F)c2)c2cnc[nH]2)c1
InChIInChI=1S/C16H13F2N3O/c17-11-3-1-2-10(6-11)16(15-8-19-9-20-15)21-14-7-12(22)4-5-13(14)18/h1-9,16,21-22H,(H,19,20)
InChIKeyPOTWAFIZLYRODI-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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The IUPAC name of 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol (CID 165176039) is 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol.
What is the SMILES notation for 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The canonical SMILES for 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol is Oc1ccc(F)c(NC(c2cccc(F)c2)c2cnc[nH]2)c1.
What is the InChIKey of 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
The InChIKey is POTWAFIZLYRODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-11-3-1-2-10(6-11)16(15-8-19-9-20-15)21-14-7-12(22)4-5-13(14)18/h1-9,16,21-22H,(H,19,20).
What are the key properties of 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol?
4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)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 4-fluoro-3-[[(3-fluorophenyl)-(1H-imidazol-5-yl)methyl]amino]phenol is sourced from PubChem (CID 165176039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).