5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one

C26H26F2N4O2 — CID 72699395

About 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one (PubChem CID 72699395) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
• PubChem CID: 72699395
• Molecular Formula: C26H26F2N4O2
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.20
• IUPAC Name: 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
• SMILES: O=c1ccc(-c2ccc3nc(CN4CCCCC4)n(Cc4ccccc4OC(F)F)c3c2)c[nH]1
• InChI: InChI=1S/C26H26F2N4O2/c27-26(28)34-23-7-3-2-6-20(23)16-32-22-14-18(19-9-11-25(33)29-15-19)8-10-21(22)30-24(32)17-31-12-4-1-5-13-31/h2-3,6-11,14-15,26H,1,4-5,12-13,16-17H2,(H,29,33)
• InChIKey: BGFXSHIQZRGTFD-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 63.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

The IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one (CID 72699395) is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one is O=c1ccc(-c2ccc3nc(CN4CCCCC4)n(Cc4ccccc4OC(F)F)c3c2)c[nH]1.

What is the InChIKey of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

The InChIKey is BGFXSHIQZRGTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c27-26(28)34-23-7-3-2-6-20(23)16-32-22-14-18(19-9-11-25(33)29-15-19)8-10-21(22)30-24(32)17-31-12-4-1-5-13-31/h2-3,6-11,14-15,26H,1,4-5,12-13,16-17H2,(H,29,33).

What are the key properties of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one has a molecular weight of 464.52 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 72699395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).