2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C25H25FN4O3 — CID 110119519

About 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 110119519) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110119519
• Molecular Formula: C25H25FN4O3
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.19
• IUPAC Name: 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• SMILES: O=C(COCc1nc2ccccc2[nH]1)N1CCCC(c2ncc(Cc3ccc(F)cc3)o2)C1
• InChI: InChI=1S/C25H25FN4O3/c26-19-9-7-17(8-10-19)12-20-13-27-25(33-20)18-4-3-11-30(14-18)24(31)16-32-15-23-28-21-5-1-2-6-22(21)29-23/h1-2,5-10,13,18H,3-4,11-12,14-16H2,(H,28,29)
• InChIKey: SDKYAWLDORZVRQ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 84.25 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	448.50
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 110119519) is 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is O=C(COCc1nc2ccccc2[nH]1)N1CCCC(c2ncc(Cc3ccc(F)cc3)o2)C1.

What is the InChIKey of 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is SDKYAWLDORZVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c26-19-9-7-17(8-10-19)12-20-13-27-25(33-20)18-4-3-11-30(14-18)24(31)16-32-15-23-28-21-5-1-2-6-22(21)29-23/h1-2,5-10,13,18H,3-4,11-12,14-16H2,(H,28,29).

What are the key properties of 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 448.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110119519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).