2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

C32H38ClN3O2 — CID 16993749

About 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993749) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993749
• Molecular Formula: C32H38ClN3O2
• Molecular Weight: 532.13 g/mol
• Exact Mass: 531.27
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: Cc1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3Cl)nc3ccccc32)c(C)c1
• InChI: InChI=1S/C32H38ClN3O2/c1-24-17-18-30(25(2)22-24)38-21-11-10-20-36-29-15-8-7-14-28(29)35-31(36)16-4-3-9-19-34-32(37)23-26-12-5-6-13-27(26)33/h5-8,12-15,17-18,22H,3-4,9-11,16,19-21,23H2,1-2H3,(H,34,37)
• InChIKey: VZKJOPPOVKVOJT-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.13
LogP ≤ 5	7.24
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-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993749) is 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is Cc1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3Cl)nc3ccccc32)c(C)c1.

What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is VZKJOPPOVKVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-24-17-18-30(25(2)22-24)38-21-11-10-20-36-29-15-8-7-14-28(29)35-31(36)16-4-3-9-19-34-32(37)23-26-12-5-6-13-27(26)33/h5-8,12-15,17-18,22H,3-4,9-11,16,19-21,23H2,1-2H3,(H,34,37).

What are the key properties of 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 532.13 g/mol, XLogP of 7.24, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).