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

C26H26ClN3O2 — CID 17010498

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

3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010498) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 17010498
• Molecular Formula: C26H26ClN3O2
• Molecular Weight: 447.97 g/mol
• Exact Mass: 447.17
• IUPAC Name: 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: Cc1ccc(OCCCn2c(C(C)NC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1
• InChI: InChI=1S/C26H26ClN3O2/c1-18-11-13-22(14-12-18)32-16-6-15-30-24-10-4-3-9-23(24)29-25(30)19(2)28-26(31)20-7-5-8-21(27)17-20/h3-5,7-14,17,19H,6,15-16H2,1-2H3,(H,28,31)
• InChIKey: JUDYSONKDSSFEU-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.97
LogP ≤ 5	5.96
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 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010498) is 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

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

The canonical SMILES for 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(OCCCn2c(C(C)NC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1.

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

The InChIKey is JUDYSONKDSSFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-18-11-13-22(14-12-18)32-16-6-15-30-24-10-4-3-9-23(24)29-25(30)19(2)28-26(31)20-7-5-8-21(27)17-20/h3-5,7-14,17,19H,6,15-16H2,1-2H3,(H,28,31).

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

3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).