N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine

C28H19F4N7O — CID 142694477

About N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine

N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (PubChem CID 142694477) has the molecular formula C28H19F4N7O and a molecular weight of 545.50 g/mol. Its IUPAC name is N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
• PubChem CID: 142694477
• Molecular Formula: C28H19F4N7O
• Molecular Weight: 545.50 g/mol
• Exact Mass: 545.16
• IUPAC Name: N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
• SMILES: Cn1c(Nc2cc(-c3cccnc3)ccc2F)nc2cc(Oc3ccnc(-n4cncc4C(F)(F)F)c3)ccc21
• InChI: InChI=1S/C28H19F4N7O/c1-38-24-7-5-19(40-20-8-10-35-26(13-20)39-16-34-15-25(39)28(30,31)32)12-23(24)37-27(38)36-22-11-17(4-6-21(22)29)18-3-2-9-33-14-18/h2-16H,1H3,(H,36,37)
• InChIKey: YCBWAVKNRKCPGJ-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.50
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?

The IUPAC name of N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (CID 142694477) is N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.

What is the SMILES notation for N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?

The canonical SMILES for N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is Cn1c(Nc2cc(-c3cccnc3)ccc2F)nc2cc(Oc3ccnc(-n4cncc4C(F)(F)F)c3)ccc21.

What is the InChIKey of N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?

The InChIKey is YCBWAVKNRKCPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F4N7O/c1-38-24-7-5-19(40-20-8-10-35-26(13-20)39-16-34-15-25(39)28(30,31)32)12-23(24)37-27(38)36-22-11-17(4-6-21(22)29)18-3-2-9-33-14-18/h2-16H,1H3,(H,36,37).

What are the key properties of N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?

N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine has a molecular weight of 545.50 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-5-pyridin-3-ylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is sourced from PubChem (CID 142694477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).