2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide

C29H41N3O3 — CID 16988571

About 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide

2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide (PubChem CID 16988571) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
• PubChem CID: 16988571
• Molecular Formula: C29H41N3O3
• Molecular Weight: 479.67 g/mol
• Exact Mass: 479.31
• IUPAC Name: 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
• SMILES: CCC(CC)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1OC
• InChI: InChI=1S/C29H41N3O3/c1-4-23(5-2)29(33)30-20-12-6-7-19-28-31-24-15-8-9-16-25(24)32(28)21-13-14-22-35-27-18-11-10-17-26(27)34-3/h8-11,15-18,23H,4-7,12-14,19-22H2,1-3H3,(H,30,33)
• InChIKey: SKCNIYRRDYLDQC-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.67
LogP ≤ 5	6.17
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-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide?

The IUPAC name of 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide (CID 16988571) is 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide.

What is the SMILES notation for 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide?

The canonical SMILES for 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide is CCC(CC)C(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1OC.

What is the InChIKey of 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide?

The InChIKey is SKCNIYRRDYLDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-4-23(5-2)29(33)30-20-12-6-7-19-28-31-24-15-8-9-16-25(24)32(28)21-13-14-22-35-27-18-11-10-17-26(27)34-3/h8-11,15-18,23H,4-7,12-14,19-22H2,1-3H3,(H,30,33).

What are the key properties of 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide?

2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide has a molecular weight of 479.67 g/mol, XLogP of 6.17, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide is sourced from PubChem (CID 16988571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).