N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide

C26H25Cl2N3O2 — CID 16985537

About N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide

N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16985537) has the molecular formula C26H25Cl2N3O2 and a molecular weight of 482.41 g/mol. Its IUPAC name is N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 16985537
• Molecular Formula: C26H25Cl2N3O2
• Molecular Weight: 482.41 g/mol
• Exact Mass: 481.13
• IUPAC Name: N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)NCCCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C26H25Cl2N3O2/c1-33-21-12-8-18(9-13-21)15-26(32)29-14-4-7-25-30-23-5-2-3-6-24(23)31(25)17-19-10-11-20(27)16-22(19)28/h2-3,5-6,8-13,16H,4,7,14-15,17H2,1H3,(H,29,32)
• InChIKey: PSJAUWQYOARPOE-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.41
LogP ≤ 5	5.69
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-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide (CID 16985537) is N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is PSJAUWQYOARPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O2/c1-33-21-12-8-18(9-13-21)15-26(32)29-14-4-7-25-30-23-5-2-3-6-24(23)31(25)17-19-10-11-20(27)16-22(19)28/h2-3,5-6,8-13,16H,4,7,14-15,17H2,1H3,(H,29,32).

What are the key properties of N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide?

N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 482.41 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16985537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).