N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

C23H28ClN3O3 — CID 16974621

About N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (PubChem CID 16974621) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
• PubChem CID: 16974621
• Molecular Formula: C23H28ClN3O3
• Molecular Weight: 429.95 g/mol
• Exact Mass: 429.18
• IUPAC Name: N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
• SMILES: COCC(=O)NCCc1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1
• InChI: InChI=1S/C23H28ClN3O3/c1-16-13-18(14-17(2)23(16)24)30-12-6-11-27-20-8-5-4-7-19(20)26-21(27)9-10-25-22(28)15-29-3/h4-5,7-8,13-14H,6,9-12,15H2,1-3H3,(H,25,28)
• InChIKey: PCQPSKSVWFWONK-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.95
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?

The IUPAC name of N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (CID 16974621) is N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.

What is the SMILES notation for N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?

The canonical SMILES for N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is COCC(=O)NCCc1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1.

What is the InChIKey of N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?

The InChIKey is PCQPSKSVWFWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-16-13-18(14-17(2)23(16)24)30-12-6-11-27-20-8-5-4-7-19(20)26-21(27)9-10-25-22(28)15-29-3/h4-5,7-8,13-14H,6,9-12,15H2,1-3H3,(H,25,28).

What are the key properties of N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?

N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide has a molecular weight of 429.95 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 16974621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).