N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide

C30H33ClN4O3 — CID 16993297

About N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide

N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide (PubChem CID 16993297) has the molecular formula C30H33ClN4O3 and a molecular weight of 533.07 g/mol. Its IUPAC name is N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide
• PubChem CID: 16993297
• Molecular Formula: C30H33ClN4O3
• Molecular Weight: 533.07 g/mol
• Exact Mass: 532.22
• IUPAC Name: N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide
• SMILES: CN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
• InChI: InChI=1S/C30H33ClN4O3/c1-34(20-23-10-4-2-5-11-23)30(37)21-35-27-13-8-7-12-26(27)33-28(35)14-6-3-9-19-32-29(36)22-38-25-17-15-24(31)16-18-25/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-22H2,1H3,(H,32,36)
• InChIKey: FKHNUWQTQVCBFW-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.07
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide?

The IUPAC name of N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide (CID 16993297) is N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide.

What is the SMILES notation for N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide?

The canonical SMILES for N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.

What is the InChIKey of N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide?

The InChIKey is FKHNUWQTQVCBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN4O3/c1-34(20-23-10-4-2-5-11-23)30(37)21-35-27-13-8-7-12-26(27)33-28(35)14-6-3-9-19-32-29(36)22-38-25-17-15-24(31)16-18-25/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-22H2,1H3,(H,32,36).

What are the key properties of N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide?

N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 533.07 g/mol, XLogP of 5.26, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 16993297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).