4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide

C27H27Cl2N3O2 — CID 16991435

About 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide

4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991435) has the molecular formula C27H27Cl2N3O2 and a molecular weight of 496.44 g/mol. Its IUPAC name is 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16991435
• Molecular Formula: C27H27Cl2N3O2
• Molecular Weight: 496.44 g/mol
• Exact Mass: 495.15
• IUPAC Name: 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: O=C(NCCCCCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccc(Cl)cc1
• InChI: InChI=1S/C27H27Cl2N3O2/c28-21-15-13-20(14-16-21)27(33)30-17-7-1-2-12-26-31-23-9-4-5-10-24(23)32(26)18-19-34-25-11-6-3-8-22(25)29/h3-6,8-11,13-16H,1-2,7,12,17-19H2,(H,30,33)
• InChIKey: MENAVOQUQUYQCN-UHFFFAOYSA-N
• XLogP: 6.56
• 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	6.56
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 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16991435) is 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide.

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

The canonical SMILES for 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide is O=C(NCCCCCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccc(Cl)cc1.

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

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

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

4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 496.44 g/mol, XLogP of 6.56, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).