2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol

C23H20ClFN4O2 — CID 137290861

About 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol

2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol (PubChem CID 137290861) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol.

Molecular Properties

• Compound Name: 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol
• PubChem CID: 137290861
• Molecular Formula: C23H20ClFN4O2
• Molecular Weight: 438.89 g/mol
• Exact Mass: 438.13
• IUPAC Name: 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol
• SMILES: COc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)cc(NCCc3cnc[nH]3)n2)c(O)c1
• InChI: InChI=1S/C23H20ClFN4O2/c1-31-17-3-4-18(22(30)11-17)21-9-15(14-2-5-19(24)20(25)8-14)10-23(29-21)27-7-6-16-12-26-13-28-16/h2-5,8-13,30H,6-7H2,1H3,(H,26,28)(H,27,29)
• InChIKey: LVSUZZVEJJUJRB-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 83.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.89
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol?

The IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol (CID 137290861) is 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol.

What is the SMILES notation for 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol?

The canonical SMILES for 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol is COc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)cc(NCCc3cnc[nH]3)n2)c(O)c1.

What is the InChIKey of 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol?

The InChIKey is LVSUZZVEJJUJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-31-17-3-4-18(22(30)11-17)21-9-15(14-2-5-19(24)20(25)8-14)10-23(29-21)27-7-6-16-12-26-13-28-16/h2-5,8-13,30H,6-7H2,1H3,(H,26,28)(H,27,29).

What are the key properties of 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol?

2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol has a molecular weight of 438.89 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol is sourced from PubChem (CID 137290861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).