2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

C29H33N3O2 — CID 16982579

About 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982579) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16982579
• Molecular Formula: C29H33N3O2
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.26
• IUPAC Name: 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: Cc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCOc2ccccc2C)c(C)c1
• InChI: InChI=1S/C29H33N3O2/c1-21-15-16-24(23(3)20-21)29(33)30-17-8-14-28-31-25-11-5-6-12-26(25)32(28)18-9-19-34-27-13-7-4-10-22(27)2/h4-7,10-13,15-16,20H,8-9,14,17-19H2,1-3H3,(H,30,33)
• InChIKey: ZYYOIAATMCDNKD-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.60
LogP ≤ 5	5.79
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-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (CID 16982579) is 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCOc2ccccc2C)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is ZYYOIAATMCDNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-21-15-16-24(23(3)20-21)29(33)30-17-8-14-28-31-25-11-5-6-12-26(25)32(28)18-9-19-34-27-13-7-4-10-22(27)2/h4-7,10-13,15-16,20H,8-9,14,17-19H2,1-3H3,(H,30,33).

What are the key properties of 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).