3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol

C27H29FN4O — CID 14013120

About 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol

3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol (PubChem CID 14013120) has the molecular formula C27H29FN4O and a molecular weight of 444.55 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol
• PubChem CID: 14013120
• Molecular Formula: C27H29FN4O
• Molecular Weight: 444.55 g/mol
• Exact Mass: 444.23
• IUPAC Name: 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol
• SMILES: Oc1ccc2nc(CC3CCN(CCc4ccccn4)CC3)n(Cc3ccc(F)cc3)c2c1
• InChI: InChI=1S/C27H29FN4O/c28-22-6-4-21(5-7-22)19-32-26-18-24(33)8-9-25(26)30-27(32)17-20-10-14-31(15-11-20)16-12-23-3-1-2-13-29-23/h1-9,13,18,20,33H,10-12,14-17,19H2
• InChIKey: YNTPILMDIJDWCG-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.55
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol (CID 14013120) is 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol.

What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol is Oc1ccc2nc(CC3CCN(CCc4ccccn4)CC3)n(Cc3ccc(F)cc3)c2c1.

What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

The InChIKey is YNTPILMDIJDWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O/c28-22-6-4-21(5-7-22)19-32-26-18-24(33)8-9-25(26)30-27(32)17-20-10-14-31(15-11-20)16-12-23-3-1-2-13-29-23/h1-9,13,18,20,33H,10-12,14-17,19H2.

What are the key properties of 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol?

3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol has a molecular weight of 444.55 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol is sourced from PubChem (CID 14013120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).