2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol

C20H12Br2FN3O2 — CID 135530592

IUPAC2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol
SMILESOc1c(Br)cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2O)cc1Br
InChIInChI=1S/C20H12Br2FN3O2/c21-15-9-13(10-16(22)19(15)27)20-25-17(11-1-3-14(23)4-2-11)18(26(20)28)12-5-7-24-8-6-12/h1-10,27-28H
InChIKeyPVTYYHQVZLTXAY-UHFFFAOYSA-N
MW505.14 g/mol
LogP5.89
Rot. Bonds3

About 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol

2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol (PubChem CID 135530592) has the molecular formula C20H12Br2FN3O2 and a molecular weight of 505.14 g/mol. Its IUPAC name is 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol
PubChem CID135530592
Molecular FormulaC20H12Br2FN3O2
Molecular Weight505.14 g/mol
Exact Mass502.93
IUPAC Name2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol
SMILESOc1c(Br)cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2O)cc1Br
InChIInChI=1S/C20H12Br2FN3O2/c21-15-9-13(10-16(22)19(15)27)20-25-17(11-1-3-14(23)4-2-11)18(26(20)28)12-5-7-24-8-6-12/h1-10,27-28H
InChIKeyPVTYYHQVZLTXAY-UHFFFAOYSA-N
XLogP5.89
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.14
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol (CID 135530592) is 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol is Oc1c(Br)cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2O)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol?
The InChIKey is PVTYYHQVZLTXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2FN3O2/c21-15-9-13(10-16(22)19(15)27)20-25-17(11-1-3-14(23)4-2-11)18(26(20)28)12-5-7-24-8-6-12/h1-10,27-28H.
What are the key properties of 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol?
2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol has a molecular weight of 505.14 g/mol, XLogP of 5.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[4-(4-fluorophenyl)-1-hydroxy-5-pyridin-4-ylimidazol-2-yl]phenol is sourced from PubChem (CID 135530592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).