2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide

C30H35N3O2 — CID 16989642

About 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide

2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989642) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989642
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2ccccc2C)c(C)c1
• InChI: InChI=1S/C30H35N3O2/c1-22-16-17-25(24(3)21-22)30(34)31-18-10-4-5-15-29-32-26-12-7-8-13-27(26)33(29)19-20-35-28-14-9-6-11-23(28)2/h6-9,11-14,16-17,21H,4-5,10,15,18-20H2,1-3H3,(H,31,34)
• InChIKey: IQOAIRIJGBBTEK-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 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989642) is 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2ccccc2C)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?

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

What are the key properties of 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide?

2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide 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 2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).