1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea

C24H19F4N5O2 — CID 143499634

About 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea

1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 143499634) has the molecular formula C24H19F4N5O2 and a molecular weight of 485.44 g/mol. Its IUPAC name is 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 143499634
• Molecular Formula: C24H19F4N5O2
• Molecular Weight: 485.44 g/mol
• Exact Mass: 485.15
• IUPAC Name: 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1cc(Oc2cccc(-c3cn(C)cn3)n2)ccc1F
• InChI: InChI=1S/C24H19F4N5O2/c1-32-13-20(29-14-32)19-7-4-8-22(31-19)35-17-9-10-18(25)21(12-17)33(2)23(34)30-16-6-3-5-15(11-16)24(26,27)28/h3-14H,1-2H3,(H,30,34)
• InChIKey: ACAUDUSEHNYEGJ-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.44
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (CID 143499634) is 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea is CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1cc(Oc2cccc(-c3cn(C)cn3)n2)ccc1F.

What is the InChIKey of 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is ACAUDUSEHNYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c1-32-13-20(29-14-32)19-7-4-8-22(31-19)35-17-9-10-18(25)21(12-17)33(2)23(34)30-16-6-3-5-15(11-16)24(26,27)28/h3-14H,1-2H3,(H,30,34).

What are the key properties of 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?

1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 485.44 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 143499634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).