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

C28H24F3N7O3 — CID 175209081

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

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one (PubChem CID 175209081) has the molecular formula C28H24F3N7O3 and a molecular weight of 563.54 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one
• PubChem CID: 175209081
• Molecular Formula: C28H24F3N7O3
• Molecular Weight: 563.54 g/mol
• Exact Mass: 563.19
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one
• SMILES: O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(-c3cccnc3)cc2n1C1CCN(C2COC2)C1
• InChI: InChI=1S/C28H24F3N7O3/c29-22-9-23-24(8-21(22)16-2-1-6-32-10-16)38(19-5-7-36(13-19)20-14-40-15-20)28(39)37(23)12-18-4-3-17(11-33-18)26-34-35-27(41-26)25(30)31/h1-4,6,8-11,19-20,25H,5,7,12-15H2
• InChIKey: XOTTWDUKKTXGLK-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 104.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.54
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one?

The IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one (CID 175209081) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-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-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one?

The canonical SMILES for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one is O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(-c3cccnc3)cc2n1C1CCN(C2COC2)C1.

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

The InChIKey is XOTTWDUKKTXGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N7O3/c29-22-9-23-24(8-21(22)16-2-1-6-32-10-16)38(19-5-7-36(13-19)20-14-40-15-20)28(39)37(23)12-18-4-3-17(11-33-18)26-34-35-27(41-26)25(30)31/h1-4,6,8-11,19-20,25H,5,7,12-15H2.

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

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one has a molecular weight of 563.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 10 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-(oxetan-3-yl)pyrrolidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 175209081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).