2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide

C30H25N3O3 — CID 155908619

About 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide

2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 155908619) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
• PubChem CID: 155908619
• Molecular Formula: C30H25N3O3
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.19
• IUPAC Name: 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1
• InChI: InChI=1S/C30H25N3O3/c1-35-25-18-14-24(15-19-25)31-27(34)20-36-26-16-12-23(13-17-26)30-32-28(21-8-4-2-5-9-21)29(33-30)22-10-6-3-7-11-22/h2-19H,20H2,1H3,(H,31,34)(H,32,33)
• InChIKey: WSUNTKLBUKKRRC-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 76.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide (CID 155908619) is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1.

What is the InChIKey of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?

The InChIKey is WSUNTKLBUKKRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3/c1-35-25-18-14-24(15-19-25)31-27(34)20-36-26-16-12-23(13-17-26)30-32-28(21-8-4-2-5-9-21)29(33-30)22-10-6-3-7-11-22/h2-19H,20H2,1H3,(H,31,34)(H,32,33).

What are the key properties of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?

2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 475.55 g/mol, XLogP of 6.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 155908619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).