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

C29H41N3O2 — CID 16988245

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

N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide (PubChem CID 16988245) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide.

Molecular Properties

• Compound Name: N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
• PubChem CID: 16988245
• Molecular Formula: C29H41N3O2
• Molecular Weight: 463.67 g/mol
• Exact Mass: 463.32
• IUPAC Name: N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
• SMILES: CCCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1C(C)C
• InChI: InChI=1S/C29H41N3O2/c1-4-14-29(33)30-20-11-5-6-19-28-31-25-16-8-9-17-26(25)32(28)21-12-13-22-34-27-18-10-7-15-24(27)23(2)3/h7-10,15-18,23H,4-6,11-14,19-22H2,1-3H3,(H,30,33)
• InChIKey: DZPBKRIHLHMEIM-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.67
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide (CID 16988245) is N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide.

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

The canonical SMILES for N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide is CCCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1C(C)C.

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

The InChIKey is DZPBKRIHLHMEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-4-14-29(33)30-20-11-5-6-19-28-31-25-16-8-9-17-26(25)32(28)21-12-13-22-34-27-18-10-7-15-24(27)23(2)3/h7-10,15-18,23H,4-6,11-14,19-22H2,1-3H3,(H,30,33).

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

N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide has a molecular weight of 463.67 g/mol, XLogP of 6.65, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide is sourced from PubChem (CID 16988245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).