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

C24H22BrF3N6O3 — CID 155757467

About 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one

5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one (PubChem CID 155757467) has the molecular formula C24H22BrF3N6O3 and a molecular weight of 579.38 g/mol. Its IUPAC name is 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one
• PubChem CID: 155757467
• Molecular Formula: C24H22BrF3N6O3
• Molecular Weight: 579.38 g/mol
• Exact Mass: 578.09
• IUPAC Name: 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one
• SMILES: O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(Br)cc2n1[C@@H]1CCCN(C2COC2)C1
• InChI: InChI=1S/C24H22BrF3N6O3/c25-17-6-20-19(7-18(17)26)33(24(35)34(20)15-2-1-5-32(10-15)16-11-36-12-16)9-14-4-3-13(8-29-14)22-30-31-23(37-22)21(27)28/h3-4,6-8,15-16,21H,1-2,5,9-12H2/t15-/m1/s1
• InChIKey: GOKBWOCERSDHON-OAHLLOKOSA-N
• XLogP: 4.17
• TPSA: 91.21 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.38
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one?

The IUPAC name of 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one (CID 155757467) is 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one.

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

The canonical SMILES for 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one is O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(Br)cc2n1[C@@H]1CCCN(C2COC2)C1.

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

The InChIKey is GOKBWOCERSDHON-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22BrF3N6O3/c25-17-6-20-19(7-18(17)26)33(24(35)34(20)15-2-1-5-32(10-15)16-11-36-12-16)9-14-4-3-13(8-29-14)22-30-31-23(37-22)21(27)28/h3-4,6-8,15-16,21H,1-2,5,9-12H2/t15-/m1/s1.

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

5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one has a molecular weight of 579.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one is sourced from PubChem (CID 155757467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).