2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide

C25H32ClN3O — CID 16993813

About 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide

2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993813) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993813
• Molecular Formula: C25H32ClN3O
• Molecular Weight: 426.00 g/mol
• Exact Mass: 425.22
• IUPAC Name: 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
• SMILES: CC(C)CCn1c(CCCCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
• InChI: InChI=1S/C25H32ClN3O/c1-19(2)15-17-29-23-9-6-5-8-22(23)28-24(29)10-4-3-7-16-27-25(30)18-20-11-13-21(26)14-12-20/h5-6,8-9,11-14,19H,3-4,7,10,15-18H2,1-2H3,(H,27,30)
• InChIKey: YSVLFPMSQBXXRV-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.00
LogP ≤ 5	5.81
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 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide (CID 16993813) is 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide is CC(C)CCn1c(CCCCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21.

What is the InChIKey of 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is YSVLFPMSQBXXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O/c1-19(2)15-17-29-23-9-6-5-8-22(23)28-24(29)10-4-3-7-16-27-25(30)18-20-11-13-21(26)14-12-20/h5-6,8-9,11-14,19H,3-4,7,10,15-18H2,1-2H3,(H,27,30).

What are the key properties of 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?

2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 426.00 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).