4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

C26H25Cl2N3O2 — CID 16984642

About 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984642) has the molecular formula C26H25Cl2N3O2 and a molecular weight of 482.41 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16984642
• Molecular Formula: C26H25Cl2N3O2
• Molecular Weight: 482.41 g/mol
• Exact Mass: 481.13
• IUPAC Name: 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: O=C(NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1
• InChI: InChI=1S/C26H25Cl2N3O2/c27-20-10-8-19(9-11-20)26(32)29-16-3-7-25-30-23-5-1-2-6-24(23)31(25)17-4-18-33-22-14-12-21(28)13-15-22/h1-2,5-6,8-15H,3-4,7,16-18H2,(H,29,32)
• InChIKey: MIWGGPCSNYJJRG-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.41
LogP ≤ 5	6.17
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-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (CID 16984642) is 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is MIWGGPCSNYJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O2/c27-20-10-8-19(9-11-20)26(32)29-16-3-7-25-30-23-5-1-2-6-24(23)31(25)17-4-18-33-22-14-12-21(28)13-15-22/h1-2,5-6,8-15H,3-4,7,16-18H2,(H,29,32).

What are the key properties of 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 482.41 g/mol, XLogP of 6.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).