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

C26H26F2N4O2 — CID 72699395

IUPAC5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc3nc(CN4CCCCC4)n(Cc4ccccc4OC(F)F)c3c2)c[nH]1
InChIInChI=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)
InChIKeyBGFXSHIQZRGTFD-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.03
Rot. Bonds7

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 Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
PubChem CID72699395
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc3nc(CN4CCCCC4)n(Cc4ccccc4OC(F)F)c3c2)c[nH]1
InChIInChI=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)
InChIKeyBGFXSHIQZRGTFD-UHFFFAOYSA-N
XLogP5.03
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).