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

C26H26ClN3O2 — CID 16967691

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

2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967691) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 16967691
• Molecular Formula: C26H26ClN3O2
• Molecular Weight: 447.97 g/mol
• Exact Mass: 447.17
• IUPAC Name: 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: Cc1ccccc1OCCCn1c(C(C)NC(=O)c2ccccc2Cl)nc2ccccc21
• InChI: InChI=1S/C26H26ClN3O2/c1-18-10-3-8-15-24(18)32-17-9-16-30-23-14-7-6-13-22(23)29-25(30)19(2)28-26(31)20-11-4-5-12-21(20)27/h3-8,10-15,19H,9,16-17H2,1-2H3,(H,28,31)
• InChIKey: OPZUNSGYRSWZGY-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 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967691) is 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

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

The canonical SMILES for 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccccc1OCCCn1c(C(C)NC(=O)c2ccccc2Cl)nc2ccccc21.

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

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

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

2-chloro-N-[1-[1-[3-(2-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 2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).