2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

C27H27Cl2N3O2 — CID 16993186

About 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993186) has the molecular formula C27H27Cl2N3O2 and a molecular weight of 496.44 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993186
• Molecular Formula: C27H27Cl2N3O2
• Molecular Weight: 496.44 g/mol
• Exact Mass: 495.15
• IUPAC Name: 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: O=C(COc1ccc(Cl)cc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1Cl
• InChI: InChI=1S/C27H27Cl2N3O2/c28-21-13-15-22(16-14-21)34-19-27(33)30-17-7-1-2-12-26-31-24-10-5-6-11-25(24)32(26)18-20-8-3-4-9-23(20)29/h3-6,8-11,13-16H,1-2,7,12,17-19H2,(H,30,33)
• InChIKey: HSFPTNWUZABSGW-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.44
LogP ≤ 5	6.30
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 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993186) is 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1Cl.

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

The InChIKey is HSFPTNWUZABSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N3O2/c28-21-13-15-22(16-14-21)34-19-27(33)30-17-7-1-2-12-26-31-24-10-5-6-11-25(24)32(26)18-20-8-3-4-9-23(20)29/h3-6,8-11,13-16H,1-2,7,12,17-19H2,(H,30,33).

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

2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 496.44 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[5-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).