N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide

C30H35N3O2 — CID 16990293

About N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide

N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide (PubChem CID 16990293) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
• PubChem CID: 16990293
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)c1
• InChI: InChI=1S/C30H35N3O2/c1-22-10-9-11-25(20-22)30(34)31-17-8-4-5-14-29-32-26-12-6-7-13-27(26)33(29)18-19-35-28-21-23(2)15-16-24(28)3/h6-7,9-13,15-16,20-21H,4-5,8,14,17-19H2,1-3H3,(H,31,34)
• InChIKey: BSVBDVRQEVULLY-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.18
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-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?

The IUPAC name of N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide (CID 16990293) is N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide.

What is the SMILES notation for N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?

The canonical SMILES for N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)c1.

What is the InChIKey of N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?

The InChIKey is BSVBDVRQEVULLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-22-10-9-11-25(20-22)30(34)31-17-8-4-5-14-29-32-26-12-6-7-13-27(26)33(29)18-19-35-28-21-23(2)15-16-24(28)3/h6-7,9-13,15-16,20-21H,4-5,8,14,17-19H2,1-3H3,(H,31,34).

What are the key properties of N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide?

N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide has a molecular weight of 469.63 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide is sourced from PubChem (CID 16990293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).