2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide

C35H37N3O — CID 16985855

About 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide

2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16985855) has the molecular formula C35H37N3O and a molecular weight of 515.70 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
• PubChem CID: 16985855
• Molecular Formula: C35H37N3O
• Molecular Weight: 515.70 g/mol
• Exact Mass: 515.29
• IUPAC Name: 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
• SMILES: Cc1cc(C)c(C)c(Cn2c(CCCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1C
• InChI: InChI=1S/C35H37N3O/c1-24-21-25(2)27(4)31(26(24)3)23-38-33-14-9-8-13-32(33)37-34(38)15-10-20-36-35(39)22-28-16-18-30(19-17-28)29-11-6-5-7-12-29/h5-9,11-14,16-19,21H,10,15,20,22-23H2,1-4H3,(H,36,39)
• InChIKey: QIWADEBBTJLMKJ-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.70
LogP ≤ 5	7.28
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-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?

The IUPAC name of 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide (CID 16985855) is 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide.

What is the SMILES notation for 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?

The canonical SMILES for 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide is Cc1cc(C)c(C)c(Cn2c(CCCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1C.

What is the InChIKey of 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?

The InChIKey is QIWADEBBTJLMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O/c1-24-21-25(2)27(4)31(26(24)3)23-38-33-14-9-8-13-32(33)37-34(38)15-10-20-36-35(39)22-28-16-18-30(19-17-28)29-11-6-5-7-12-29/h5-9,11-14,16-19,21H,10,15,20,22-23H2,1-4H3,(H,36,39).

What are the key properties of 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?

2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 515.70 g/mol, XLogP of 7.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16985855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).