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

C36H39N3O — CID 16994316

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

2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16994316) has the molecular formula C36H39N3O and a molecular weight of 529.73 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16994316
• Molecular Formula: C36H39N3O
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.31
• IUPAC Name: 2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: Cc1cc(C)c(Cn2c(CCCCCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c(C)c1
• InChI: InChI=1S/C36H39N3O/c1-26-22-27(2)32(28(3)23-26)25-39-34-15-10-9-14-33(34)38-35(39)16-8-5-11-21-37-36(40)24-29-17-19-31(20-18-29)30-12-6-4-7-13-30/h4,6-7,9-10,12-15,17-20,22-23H,5,8,11,16,21,24-25H2,1-3H3,(H,37,40)
• InChIKey: URKLDNYUSJKYHG-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	7.75
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-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16994316) is 2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is Cc1cc(C)c(Cn2c(CCCCCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c(C)c1.

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

The InChIKey is URKLDNYUSJKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3O/c1-26-22-27(2)32(28(3)23-26)25-39-34-15-10-9-14-33(34)38-35(39)16-8-5-11-21-37-36(40)24-29-17-19-31(20-18-29)30-12-6-4-7-13-30/h4,6-7,9-10,12-15,17-20,22-23H,5,8,11,16,21,24-25H2,1-3H3,(H,37,40).

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

2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 529.73 g/mol, XLogP of 7.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16994316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).