2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

C28H30ClN3O2 — CID 16993200

About 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993200) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993200
• Molecular Formula: C28H30ClN3O2
• Molecular Weight: 476.02 g/mol
• Exact Mass: 475.20
• IUPAC Name: 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: Cc1ccc(Cn2c(CCCCCNC(=O)COc3ccc(Cl)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C28H30ClN3O2/c1-21-10-12-22(13-11-21)19-32-26-8-5-4-7-25(26)31-27(32)9-3-2-6-18-30-28(33)20-34-24-16-14-23(29)15-17-24/h4-5,7-8,10-17H,2-3,6,9,18-20H2,1H3,(H,30,33)
• InChIKey: LFVDGVUUIPBZNI-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.02
LogP ≤ 5	5.95
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-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993200) is 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is Cc1ccc(Cn2c(CCCCCNC(=O)COc3ccc(Cl)cc3)nc3ccccc32)cc1.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is LFVDGVUUIPBZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-21-10-12-22(13-11-21)19-32-26-8-5-4-7-25(26)31-27(32)9-3-2-6-18-30-28(33)20-34-24-16-14-23(29)15-17-24/h4-5,7-8,10-17H,2-3,6,9,18-20H2,1H3,(H,30,33).

What are the key properties of 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 476.02 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).