1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole

C25H24Cl2N2O — CID 3347731

About 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole

1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole (PubChem CID 3347731) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole.

Molecular Properties

• Compound Name: 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
• PubChem CID: 3347731
• Molecular Formula: C25H24Cl2N2O
• Molecular Weight: 439.39 g/mol
• Exact Mass: 438.13
• IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
• SMILES: Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C25H24Cl2N2O/c1-16(2)20-11-8-17(3)12-24(20)30-15-25-28-22-6-4-5-7-23(22)29(25)14-18-9-10-19(26)13-21(18)27/h4-13,16H,14-15H2,1-3H3
• InChIKey: YINYJTFSITVRFJ-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.39
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole?

The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole (CID 3347731) is 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole.

What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole?

The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole is Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c1.

What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole?

The InChIKey is YINYJTFSITVRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c1-16(2)20-11-8-17(3)12-24(20)30-15-25-28-22-6-4-5-7-23(22)29(25)14-18-9-10-19(26)13-21(18)27/h4-13,16H,14-15H2,1-3H3.

What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole?

1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole has a molecular weight of 439.39 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 3347731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).