N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

C26H35N3O — CID 16988805

About N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (PubChem CID 16988805) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
• PubChem CID: 16988805
• Molecular Formula: C26H35N3O
• Molecular Weight: 405.59 g/mol
• Exact Mass: 405.28
• IUPAC Name: N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
• SMILES: Cc1ccc(C)c(Cn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)c1
• InChI: InChI=1S/C26H35N3O/c1-19-14-15-20(2)21(17-19)18-29-23-12-9-8-11-22(23)28-24(29)13-7-6-10-16-27-25(30)26(3,4)5/h8-9,11-12,14-15,17H,6-7,10,13,16,18H2,1-5H3,(H,27,30)
• InChIKey: NKOPLUPAIFPLGI-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.59
LogP ≤ 5	5.58
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 N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (CID 16988805) is N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is Cc1ccc(C)c(Cn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)c1.

What is the InChIKey of N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?

The InChIKey is NKOPLUPAIFPLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-19-14-15-20(2)21(17-19)18-29-23-12-9-8-11-22(23)28-24(29)13-7-6-10-16-27-25(30)26(3,4)5/h8-9,11-12,14-15,17H,6-7,10,13,16,18H2,1-5H3,(H,27,30).

What are the key properties of N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?

N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide has a molecular weight of 405.59 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16988805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).