N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide

C28H31N3O — CID 16985043

About N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide

N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide (PubChem CID 16985043) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
• PubChem CID: 16985043
• Molecular Formula: C28H31N3O
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.25
• IUPAC Name: N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
• SMILES: Cc1ccc(C)c(Cn2c(CCCNC(=O)Cc3ccccc3C)nc3ccccc32)c1
• InChI: InChI=1S/C28H31N3O/c1-20-14-15-22(3)24(17-20)19-31-26-12-7-6-11-25(26)30-27(31)13-8-16-29-28(32)18-23-10-5-4-9-21(23)2/h4-7,9-12,14-15,17H,8,13,16,18-19H2,1-3H3,(H,29,32)
• InChIKey: CVQSANCLNYELDV-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide (CID 16985043) is N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide.

What is the SMILES notation for N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?

The canonical SMILES for N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide is Cc1ccc(C)c(Cn2c(CCCNC(=O)Cc3ccccc3C)nc3ccccc32)c1.

What is the InChIKey of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?

The InChIKey is CVQSANCLNYELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-20-14-15-22(3)24(17-20)19-31-26-12-7-6-11-25(26)30-27(31)13-8-16-29-28(32)18-23-10-5-4-9-21(23)2/h4-7,9-12,14-15,17H,8,13,16,18-19H2,1-3H3,(H,29,32).

What are the key properties of N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide?

N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide has a molecular weight of 425.58 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16985043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).