2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

C30H34ClN3O — CID 16993844

About 2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993844) has the molecular formula C30H34ClN3O and a molecular weight of 488.08 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993844
• Molecular Formula: C30H34ClN3O
• Molecular Weight: 488.08 g/mol
• Exact Mass: 487.24
• IUPAC Name: 2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CC(C)c1ccc(Cn2c(CCCCCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C30H34ClN3O/c1-22(2)25-15-11-24(12-16-25)21-34-28-9-6-5-8-27(28)33-29(34)10-4-3-7-19-32-30(35)20-23-13-17-26(31)18-14-23/h5-6,8-9,11-18,22H,3-4,7,10,19-21H2,1-2H3,(H,32,35)
• InChIKey: GMOXEXVLLOHSLW-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.08
LogP ≤ 5	6.93
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-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993844) is 2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is CC(C)c1ccc(Cn2c(CCCCCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1.

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

The InChIKey is GMOXEXVLLOHSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O/c1-22(2)25-15-11-24(12-16-25)21-34-28-9-6-5-8-27(28)33-29(34)10-4-3-7-19-32-30(35)20-23-13-17-26(31)18-14-23/h5-6,8-9,11-18,22H,3-4,7,10,19-21H2,1-2H3,(H,32,35).

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

2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 488.08 g/mol, XLogP of 6.93, 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-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).