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

C29H26F3N7O3 — CID 175209069

About 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)piperidin-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)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one (PubChem CID 175209069) has the molecular formula C29H26F3N7O3 and a molecular weight of 577.57 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)piperidin-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)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one
• PubChem CID: 175209069
• Molecular Formula: C29H26F3N7O3
• Molecular Weight: 577.57 g/mol
• Exact Mass: 577.20
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one
• SMILES: O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(-c3cccnc3)cc2n1C1CCCN(C2COC2)C1
• InChI: InChI=1S/C29H26F3N7O3/c30-23-10-24-25(9-22(23)17-3-1-7-33-11-17)39(20-4-2-8-37(14-20)21-15-41-16-21)29(40)38(24)13-19-6-5-18(12-34-19)27-35-36-28(42-27)26(31)32/h1,3,5-7,9-12,20-21,26H,2,4,8,13-16H2
• InChIKey: NZCRRKIZIZTNCY-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 104.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.57
LogP ≤ 5	4.47
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)piperidin-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)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one (CID 175209069) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[1-(oxetan-3-yl)piperidin-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)piperidin-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)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one is O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(-c3cccnc3)cc2n1C1CCCN(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)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one?

The InChIKey is NZCRRKIZIZTNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N7O3/c30-23-10-24-25(9-22(23)17-3-1-7-33-11-17)39(20-4-2-8-37(14-20)21-15-41-16-21)29(40)38(24)13-19-6-5-18(12-34-19)27-35-36-28(42-27)26(31)32/h1,3,5-7,9-12,20-21,26H,2,4,8,13-16H2.

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)piperidin-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)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one has a molecular weight of 577.57 g/mol, XLogP of 4.47, 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)piperidin-3-yl]-5-pyridin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 175209069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).