1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride

C25H25Cl3N2O3 — CID 172933944

About 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride

1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride (PubChem CID 172933944) has the molecular formula C25H25Cl3N2O3 and a molecular weight of 507.85 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride
• PubChem CID: 172933944
• Molecular Formula: C25H25Cl3N2O3
• Molecular Weight: 507.85 g/mol
• Exact Mass: 506.09
• IUPAC Name: 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride
• SMILES: Cc1cccc(C)c1OCc1nc2ccccc2n1CC(O)COc1ccc(Cl)cc1Cl.Cl
• InChI: InChI=1S/C25H24Cl2N2O3.ClH/c1-16-6-5-7-17(2)25(16)32-15-24-28-21-8-3-4-9-22(21)29(24)13-19(30)14-31-23-11-10-18(26)12-20(23)27;/h3-12,19,30H,13-15H2,1-2H3;1H
• InChIKey: BJKSRFOEUPOPMF-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.85
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride?

The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride (CID 172933944) is 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride.

What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride?

The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride is Cc1cccc(C)c1OCc1nc2ccccc2n1CC(O)COc1ccc(Cl)cc1Cl.Cl.

What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride?

The InChIKey is BJKSRFOEUPOPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3.ClH/c1-16-6-5-7-17(2)25(16)32-15-24-28-21-8-3-4-9-22(21)29(24)13-19(30)14-31-23-11-10-18(26)12-20(23)27;/h3-12,19,30H,13-15H2,1-2H3;1H.

What are the key properties of 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride?

1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride has a molecular weight of 507.85 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 172933944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).