1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride

C21H24Cl2N2O3 — CID 138960774

About 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride

1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride (PubChem CID 138960774) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
• PubChem CID: 138960774
• Molecular Formula: C21H24Cl2N2O3
• Molecular Weight: 423.34 g/mol
• Exact Mass: 422.12
• IUPAC Name: 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
• SMILES: Cc1ccc(OCC(O)Cn2c(C3CCCO3)nc3ccccc32)c(Cl)c1.Cl
• InChI: InChI=1S/C21H23ClN2O3.ClH/c1-14-8-9-19(16(22)11-14)27-13-15(25)12-24-18-6-3-2-5-17(18)23-21(24)20-7-4-10-26-20;/h2-3,5-6,8-9,11,15,20,25H,4,7,10,12-13H2,1H3;1H
• InChIKey: RYNZHLLLVLNVFU-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.34
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

The IUPAC name of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride (CID 138960774) is 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride.

What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride is Cc1ccc(OCC(O)Cn2c(C3CCCO3)nc3ccccc32)c(Cl)c1.Cl.

What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

The InChIKey is RYNZHLLLVLNVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3.ClH/c1-14-8-9-19(16(22)11-14)27-13-15(25)12-24-18-6-3-2-5-17(18)23-21(24)20-7-4-10-26-20;/h2-3,5-6,8-9,11,15,20,25H,4,7,10,12-13H2,1H3;1H.

What are the key properties of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride has a molecular weight of 423.34 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 138960774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).