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

C23H20ClFN4O — CID 137290609

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

2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol (PubChem CID 137290609) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol
• PubChem CID: 137290609
• Molecular Formula: C23H20ClFN4O
• Molecular Weight: 422.89 g/mol
• Exact Mass: 422.13
• IUPAC Name: 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol
• SMILES: Cc1ccc(O)c(-c2cc(-c3ccc(Cl)c(F)c3)cc(NCCc3cnc[nH]3)n2)c1
• InChI: InChI=1S/C23H20ClFN4O/c1-14-2-5-22(30)18(8-14)21-10-16(15-3-4-19(24)20(25)9-15)11-23(29-21)27-7-6-17-12-26-13-28-17/h2-5,8-13,30H,6-7H2,1H3,(H,26,28)(H,27,29)
• InChIKey: ZGRFLSGBOQEBPC-UHFFFAOYSA-N
• XLogP: 5.60
• 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	422.89
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol (CID 137290609) is 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol.

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

The canonical SMILES for 2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3ccc(Cl)c(F)c3)cc(NCCc3cnc[nH]3)n2)c1.

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

The InChIKey is ZGRFLSGBOQEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-14-2-5-22(30)18(8-14)21-10-16(15-3-4-19(24)20(25)9-15)11-23(29-21)27-7-6-17-12-26-13-28-17/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]-4-methylphenol?

2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol has a molecular weight of 422.89 g/mol, XLogP of 5.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 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]-4-methylphenol is sourced from PubChem (CID 137290609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).