2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide

C23H19Cl2N5O3 — CID 122312650

About 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 122312650) has the molecular formula C23H19Cl2N5O3 and a molecular weight of 484.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
• PubChem CID: 122312650
• Molecular Formula: C23H19Cl2N5O3
• Molecular Weight: 484.34 g/mol
• Exact Mass: 483.09
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
• SMILES: Cc1nc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc(-n2ccnc2C)n1
• InChI: InChI=1S/C23H19Cl2N5O3/c1-14-27-21(30-10-9-26-15(30)2)12-23(28-14)33-18-6-4-17(5-7-18)29-22(31)13-32-20-8-3-16(24)11-19(20)25/h3-12H,13H2,1-2H3,(H,29,31)
• InChIKey: JHSSQDBLZOKMCA-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.34
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide (CID 122312650) is 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is Cc1nc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc(-n2ccnc2C)n1.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?

The InChIKey is JHSSQDBLZOKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O3/c1-14-27-21(30-10-9-26-15(30)2)12-23(28-14)33-18-6-4-17(5-7-18)29-22(31)13-32-20-8-3-16(24)11-19(20)25/h3-12H,13H2,1-2H3,(H,29,31).

What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide?

2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 484.34 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122312650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).