4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol

C22H17BrF2N4O — CID 137307230

About 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol

4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol (PubChem CID 137307230) has the molecular formula C22H17BrF2N4O and a molecular weight of 471.31 g/mol. Its IUPAC name is 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
• PubChem CID: 137307230
• Molecular Formula: C22H17BrF2N4O
• Molecular Weight: 471.31 g/mol
• Exact Mass: 470.06
• IUPAC Name: 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
• SMILES: Oc1ccc(Br)cc1-c1cc(-c2cccc(F)c2F)cc(NCCc2cnc[nH]2)n1
• InChI: InChI=1S/C22H17BrF2N4O/c23-14-4-5-20(30)17(10-14)19-8-13(16-2-1-3-18(24)22(16)25)9-21(29-19)27-7-6-15-11-26-12-28-15/h1-5,8-12,30H,6-7H2,(H,26,28)(H,27,29)
• InChIKey: VFQDOTQVNMHFFS-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 73.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.31
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?

The IUPAC name of 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol (CID 137307230) is 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol.

What is the SMILES notation for 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?

The canonical SMILES for 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol is Oc1ccc(Br)cc1-c1cc(-c2cccc(F)c2F)cc(NCCc2cnc[nH]2)n1.

What is the InChIKey of 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?

The InChIKey is VFQDOTQVNMHFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrF2N4O/c23-14-4-5-20(30)17(10-14)19-8-13(16-2-1-3-18(24)22(16)25)9-21(29-19)27-7-6-15-11-26-12-28-15/h1-5,8-12,30H,6-7H2,(H,26,28)(H,27,29).

What are the key properties of 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?

4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol has a molecular weight of 471.31 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol is sourced from PubChem (CID 137307230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).