1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol

C29H34N2O3 — CID 156620726

About 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol

1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol (PubChem CID 156620726) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
• PubChem CID: 156620726
• Molecular Formula: C29H34N2O3
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.26
• IUPAC Name: 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
• SMILES: CCC(OCC(O)Cn1c(COc2c(C)cc(C)cc2C)nc2ccccc21)c1ccccc1
• InChI: InChI=1S/C29H34N2O3/c1-5-27(23-11-7-6-8-12-23)33-18-24(32)17-31-26-14-10-9-13-25(26)30-28(31)19-34-29-21(3)15-20(2)16-22(29)4/h6-16,24,27,32H,5,17-19H2,1-4H3
• InChIKey: WPSCOYPDBIZMDJ-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.60
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?

The IUPAC name of 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol (CID 156620726) is 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol.

What is the SMILES notation for 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?

The canonical SMILES for 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol is CCC(OCC(O)Cn1c(COc2c(C)cc(C)cc2C)nc2ccccc21)c1ccccc1.

What is the InChIKey of 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?

The InChIKey is WPSCOYPDBIZMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-5-27(23-11-7-6-8-12-23)33-18-24(32)17-31-26-14-10-9-13-25(26)30-28(31)19-34-29-21(3)15-20(2)16-22(29)4/h6-16,24,27,32H,5,17-19H2,1-4H3.

What are the key properties of 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?

1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol has a molecular weight of 458.60 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 156620726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).