1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea

C22H18F2N6O2 — CID 122312694

About 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea

1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea (PubChem CID 122312694) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
• PubChem CID: 122312694
• Molecular Formula: C22H18F2N6O2
• Molecular Weight: 436.42 g/mol
• Exact Mass: 436.15
• IUPAC Name: 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
• SMILES: Cc1nc(Oc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc(-n2ccnc2C)n1
• InChI: InChI=1S/C22H18F2N6O2/c1-13-26-20(30-10-9-25-14(30)2)12-21(27-13)32-17-6-4-16(5-7-17)28-22(31)29-19-8-3-15(23)11-18(19)24/h3-12H,1-2H3,(H2,28,29,31)
• InChIKey: NDPUCKGJJAGCKK-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.42
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea (CID 122312694) is 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea.

What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea is Cc1nc(Oc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc(-n2ccnc2C)n1.

What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

The InChIKey is NDPUCKGJJAGCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c1-13-26-20(30-10-9-25-14(30)2)12-21(27-13)32-17-6-4-16(5-7-17)28-22(31)29-19-8-3-15(23)11-18(19)24/h3-12H,1-2H3,(H2,28,29,31).

What are the key properties of 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea has a molecular weight of 436.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 122312694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).