N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

C30H34ClN3O3 — CID 16992948

About N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (PubChem CID 16992948) has the molecular formula C30H34ClN3O3 and a molecular weight of 520.07 g/mol. Its IUPAC name is N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
• PubChem CID: 16992948
• Molecular Formula: C30H34ClN3O3
• Molecular Weight: 520.07 g/mol
• Exact Mass: 519.23
• IUPAC Name: N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
• SMILES: O=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl
• InChI: InChI=1S/C30H34ClN3O3/c31-25-15-6-9-18-28(25)36-22-12-11-21-34-27-17-8-7-16-26(27)33-29(34)19-5-2-10-20-32-30(35)23-37-24-13-3-1-4-14-24/h1,3-4,6-9,13-18H,2,5,10-12,19-23H2,(H,32,35)
• InChIKey: JCMJHRHHDMGBBS-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.07
LogP ≤ 5	6.46
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 N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?

The IUPAC name of N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (CID 16992948) is N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl.

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

The InChIKey is JCMJHRHHDMGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O3/c31-25-15-6-9-18-28(25)36-22-12-11-21-34-27-17-8-7-16-26(27)33-29(34)19-5-2-10-20-32-30(35)23-37-24-13-3-1-4-14-24/h1,3-4,6-9,13-18H,2,5,10-12,19-23H2,(H,32,35).

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

N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide has a molecular weight of 520.07 g/mol, XLogP of 6.46, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is sourced from PubChem (CID 16992948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).