1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one

C27H24F3N7O2 — CID 175214899

About 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one (PubChem CID 175214899) has the molecular formula C27H24F3N7O2 and a molecular weight of 535.53 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one
• PubChem CID: 175214899
• Molecular Formula: C27H24F3N7O2
• Molecular Weight: 535.53 g/mol
• Exact Mass: 535.19
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one
• SMILES: CN1CCCC(n2c(=O)n(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c3cc(F)c(-c4ccncc4)cc32)C1
• InChI: InChI=1S/C27H24F3N7O2/c1-35-10-2-3-19(15-35)37-23-11-20(16-6-8-31-9-7-16)21(28)12-22(23)36(27(37)38)14-18-5-4-17(13-32-18)25-33-34-26(39-25)24(29)30/h4-9,11-13,19,24H,2-3,10,14-15H2,1H3
• InChIKey: CHCSPNMRWVKUNW-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 94.87 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.53
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one?

The IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one (CID 175214899) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one.

What is the SMILES notation for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one?

The canonical SMILES for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one is CN1CCCC(n2c(=O)n(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c3cc(F)c(-c4ccncc4)cc32)C1.

What is the InChIKey of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one?

The InChIKey is CHCSPNMRWVKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N7O2/c1-35-10-2-3-19(15-35)37-23-11-20(16-6-8-31-9-7-16)21(28)12-22(23)36(27(37)38)14-18-5-4-17(13-32-18)25-33-34-26(39-25)24(29)30/h4-9,11-13,19,24H,2-3,10,14-15H2,1H3.

What are the key properties of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one?

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one has a molecular weight of 535.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 175214899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).