1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol

C26H28FN3OS — CID 14013121

About 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol

1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol (PubChem CID 14013121) has the molecular formula C26H28FN3OS and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol
• PubChem CID: 14013121
• Molecular Formula: C26H28FN3OS
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.19
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol
• SMILES: Oc1ccc2c(c1)nc(CC1CCN(CCc3cccs3)CC1)n2Cc1ccc(F)cc1
• InChI: InChI=1S/C26H28FN3OS/c27-21-5-3-20(4-6-21)18-30-25-8-7-22(31)17-24(25)28-26(30)16-19-9-12-29(13-10-19)14-11-23-2-1-15-32-23/h1-8,15,17,19,31H,9-14,16,18H2
• InChIKey: MSOFXNDPMBNQJI-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol (CID 14013121) is 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol.

What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol is Oc1ccc2c(c1)nc(CC1CCN(CCc3cccs3)CC1)n2Cc1ccc(F)cc1.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

The InChIKey is MSOFXNDPMBNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3OS/c27-21-5-3-20(4-6-21)18-30-25-8-7-22(31)17-24(25)28-26(30)16-19-9-12-29(13-10-19)14-11-23-2-1-15-32-23/h1-8,15,17,19,31H,9-14,16,18H2.

What are the key properties of 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol has a molecular weight of 449.60 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol is sourced from PubChem (CID 14013121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).