2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

C31H37N3O — CID 16989618

About 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989618) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989618
• Molecular Formula: C31H37N3O
• Molecular Weight: 467.66 g/mol
• Exact Mass: 467.29
• IUPAC Name: 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C31H37N3O/c1-21-14-15-26(23(3)17-21)31(35)32-16-10-6-7-13-30-33-28-11-8-9-12-29(28)34(30)20-27-24(4)18-22(2)19-25(27)5/h8-9,11-12,14-15,17-19H,6-7,10,13,16,20H2,1-5H3,(H,32,35)
• InChIKey: WFVJNVTXKSHRTB-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.66
LogP ≤ 5	6.77
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-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989618) is 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?

The InChIKey is WFVJNVTXKSHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c1-21-14-15-26(23(3)17-21)31(35)32-16-10-6-7-13-30-33-28-11-8-9-12-29(28)34(30)20-27-24(4)18-22(2)19-25(27)5/h8-9,11-12,14-15,17-19H,6-7,10,13,16,20H2,1-5H3,(H,32,35).

What are the key properties of 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?

2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 467.66 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).