1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride

C22H27ClN2O5 — CID 138960725

About 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride

1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride (PubChem CID 138960725) has the molecular formula C22H27ClN2O5 and a molecular weight of 434.92 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
• PubChem CID: 138960725
• Molecular Formula: C22H27ClN2O5
• Molecular Weight: 434.92 g/mol
• Exact Mass: 434.16
• IUPAC Name: 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
• SMILES: COc1cccc(OC)c1OCC(O)Cn1c(C2CCCO2)nc2ccccc21.Cl
• InChI: InChI=1S/C22H26N2O5.ClH/c1-26-18-9-5-10-19(27-2)21(18)29-14-15(25)13-24-17-8-4-3-7-16(17)23-22(24)20-11-6-12-28-20;/h3-5,7-10,15,20,25H,6,11-14H2,1-2H3;1H
• InChIKey: VUYKOPGTACNMJG-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 74.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.92
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

The IUPAC name of 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride (CID 138960725) is 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride.

What is the SMILES notation for 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

The canonical SMILES for 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride is COc1cccc(OC)c1OCC(O)Cn1c(C2CCCO2)nc2ccccc21.Cl.

What is the InChIKey of 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

The InChIKey is VUYKOPGTACNMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5.ClH/c1-26-18-9-5-10-19(27-2)21(18)29-14-15(25)13-24-17-8-4-3-7-16(17)23-22(24)20-11-6-12-28-20;/h3-5,7-10,15,20,25H,6,11-14H2,1-2H3;1H.

What are the key properties of 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride?

1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride has a molecular weight of 434.92 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 138960725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).