N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C34H35N3O2 — CID 16971629

About N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971629) has the molecular formula C34H35N3O2 and a molecular weight of 517.67 g/mol. Its IUPAC name is N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 16971629
• Molecular Formula: C34H35N3O2
• Molecular Weight: 517.67 g/mol
• Exact Mass: 517.27
• IUPAC Name: N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• SMILES: Cc1cccc(OCCCn2c(C(C)NC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1C
• InChI: InChI=1S/C34H35N3O2/c1-24-11-9-16-32(25(24)2)39-22-10-21-37-31-15-8-7-14-30(31)36-34(37)26(3)35-33(38)23-27-17-19-29(20-18-27)28-12-5-4-6-13-28/h4-9,11-20,26H,10,21-23H2,1-3H3,(H,35,38)
• InChIKey: WGXJABMJAZWDOQ-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.67
LogP ≤ 5	7.21
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-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The IUPAC name of N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16971629) is N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

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

The canonical SMILES for N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is Cc1cccc(OCCCn2c(C(C)NC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1C.

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

The InChIKey is WGXJABMJAZWDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O2/c1-24-11-9-16-32(25(24)2)39-22-10-21-37-31-15-8-7-14-30(31)36-34(37)26(3)35-33(38)23-27-17-19-29(20-18-27)28-12-5-4-6-13-28/h4-9,11-20,26H,10,21-23H2,1-3H3,(H,35,38).

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

N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 517.67 g/mol, XLogP of 7.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).