1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one

C24H22F7N7O2 — CID 155729324

About 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one (PubChem CID 155729324) has the molecular formula C24H22F7N7O2 and a molecular weight of 573.47 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one
• PubChem CID: 155729324
• Molecular Formula: C24H22F7N7O2
• Molecular Weight: 573.47 g/mol
• Exact Mass: 573.17
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one
• SMILES: Cn1c(=O)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(N3CCN(CC(F)(F)C(F)F)CC3)cc21
• InChI: InChI=1S/C24H22F7N7O2/c1-35-17-9-16(37-6-4-36(5-7-37)12-24(30,31)22(28)29)15(25)8-18(17)38(23(35)39)11-14-3-2-13(10-32-14)20-33-34-21(40-20)19(26)27/h2-3,8-10,19,22H,4-7,11-12H2,1H3
• InChIKey: XTSHKIJGEBLJTG-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 85.22 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.47
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one?

The IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one (CID 155729324) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one.

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

The canonical SMILES for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one is Cn1c(=O)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(N3CCN(CC(F)(F)C(F)F)CC3)cc21.

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

The InChIKey is XTSHKIJGEBLJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F7N7O2/c1-35-17-9-16(37-6-4-36(5-7-37)12-24(30,31)22(28)29)15(25)8-18(17)38(23(35)39)11-14-3-2-13(10-32-14)20-33-34-21(40-20)19(26)27/h2-3,8-10,19,22H,4-7,11-12H2,1H3.

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

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one has a molecular weight of 573.47 g/mol, XLogP of 3.93, 8 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-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one is sourced from PubChem (CID 155729324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).