2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

C29H41N3O3 — CID 16988406

About 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16988406) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16988406
• Molecular Formula: C29H41N3O3
• Molecular Weight: 479.67 g/mol
• Exact Mass: 479.31
• IUPAC Name: 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: COCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C
• InChI: InChI=1S/C29H41N3O3/c1-22(2)24-16-15-23(3)20-27(24)35-19-11-10-18-32-26-13-8-7-12-25(26)31-28(32)14-6-5-9-17-30-29(33)21-34-4/h7-8,12-13,15-16,20,22H,5-6,9-11,14,17-19,21H2,1-4H3,(H,30,33)
• InChIKey: RYKDGWRORJRQLR-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.67
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (CID 16988406) is 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is COCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C.

What is the InChIKey of 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is RYKDGWRORJRQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-22(2)24-16-15-23(3)20-27(24)35-19-11-10-18-32-26-13-8-7-12-25(26)31-28(32)14-6-5-9-17-30-29(33)21-34-4/h7-8,12-13,15-16,20,22H,5-6,9-11,14,17-19,21H2,1-4H3,(H,30,33).

What are the key properties of 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 479.67 g/mol, XLogP of 5.80, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16988406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).