1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol

C25H24Cl2N2O3 — CID 156620630

About 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol

1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol (PubChem CID 156620630) has the molecular formula C25H24Cl2N2O3 and a molecular weight of 471.38 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
• PubChem CID: 156620630
• Molecular Formula: C25H24Cl2N2O3
• Molecular Weight: 471.38 g/mol
• Exact Mass: 470.12
• IUPAC Name: 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
• SMILES: Cc1cc(C)cc(OCC(O)Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)c1
• InChI: InChI=1S/C25H24Cl2N2O3/c1-16-9-17(2)11-20(10-16)31-14-19(30)13-29-23-6-4-3-5-22(23)28-25(29)15-32-24-8-7-18(26)12-21(24)27/h3-12,19,30H,13-15H2,1-2H3
• InChIKey: BLGJUUKIYRZPFJ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.38
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol?

The IUPAC name of 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol (CID 156620630) is 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol.

What is the SMILES notation for 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol?

The canonical SMILES for 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol is Cc1cc(C)cc(OCC(O)Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)c1.

What is the InChIKey of 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol?

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

What are the key properties of 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol?

1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol has a molecular weight of 471.38 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 156620630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).