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

C27H29N3O2 — CID 16972578

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

N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16972578) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
• PubChem CID: 16972578
• Molecular Formula: C27H29N3O2
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.23
• IUPAC Name: N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
• SMILES: Cc1ccccc1OCCCn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21
• InChI: InChI=1S/C27H29N3O2/c1-20-11-6-9-16-25(20)32-18-10-17-30-24-15-8-7-14-23(24)29-27(30)21(2)28-26(31)19-22-12-4-3-5-13-22/h3-9,11-16,21H,10,17-19H2,1-2H3,(H,28,31)
• InChIKey: ILKAEOLUKOAHDY-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	5.23
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 N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?

The IUPAC name of N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16972578) is N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

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

The canonical SMILES for N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is Cc1ccccc1OCCCn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21.

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

The InChIKey is ILKAEOLUKOAHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-11-6-9-16-25(20)32-18-10-17-30-24-15-8-7-14-23(24)29-27(30)21(2)28-26(31)19-22-12-4-3-5-13-22/h3-9,11-16,21H,10,17-19H2,1-2H3,(H,28,31).

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

N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 427.55 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16972578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).