2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide

C30H35N3O2 — CID 16982559

About 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide

2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982559) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16982559
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: Cc1ccc(C(=O)NCCCc2nc3ccccc3n2CCOc2ccccc2C(C)C)c(C)c1
• InChI: InChI=1S/C30H35N3O2/c1-21(2)24-10-5-8-13-28(24)35-19-18-33-27-12-7-6-11-26(27)32-29(33)14-9-17-31-30(34)25-16-15-22(3)20-23(25)4/h5-8,10-13,15-16,20-21H,9,14,17-19H2,1-4H3,(H,31,34)
• InChIKey: CNWCEVODNGGRDX-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (CID 16982559) is 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2CCOc2ccccc2C(C)C)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is CNWCEVODNGGRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-21(2)24-10-5-8-13-28(24)35-19-18-33-27-12-7-6-11-26(27)32-29(33)14-9-17-31-30(34)25-16-15-22(3)20-23(25)4/h5-8,10-13,15-16,20-21H,9,14,17-19H2,1-4H3,(H,31,34).

What are the key properties of 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?

2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).