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

C30H28F3N7O3 — CID 155729471

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

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one (PubChem CID 155729471) has the molecular formula C30H28F3N7O3 and a molecular weight of 591.59 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-4-yl]methyl]-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-(oxetan-3-yl)piperidin-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one
• PubChem CID: 155729471
• Molecular Formula: C30H28F3N7O3
• Molecular Weight: 591.59 g/mol
• Exact Mass: 591.22
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one
• SMILES: O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(-c3ccncc3)cc2n1CC1CCN(C2COC2)CC1
• InChI: InChI=1S/C30H28F3N7O3/c31-24-12-26-25(11-23(24)19-3-7-34-8-4-19)39(14-18-5-9-38(10-6-18)22-16-42-17-22)30(41)40(26)15-21-2-1-20(13-35-21)28-36-37-29(43-28)27(32)33/h1-4,7-8,11-13,18,22,27H,5-6,9-10,14-17H2
• InChIKey: OIDULAJAIOPOJC-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 104.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.59
LogP ≤ 5	4.55
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-4-yl]methyl]-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-(oxetan-3-yl)piperidin-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one (CID 155729471) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]-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-(oxetan-3-yl)piperidin-4-yl]methyl]-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-(oxetan-3-yl)piperidin-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one is O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(-c3ccncc3)cc2n1CC1CCN(C2COC2)CC1.

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-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one?

The InChIKey is OIDULAJAIOPOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N7O3/c31-24-12-26-25(11-23(24)19-3-7-34-8-4-19)39(14-18-5-9-38(10-6-18)22-16-42-17-22)30(41)40(26)15-21-2-1-20(13-35-21)28-36-37-29(43-28)27(32)33/h1-4,7-8,11-13,18,22,27H,5-6,9-10,14-17H2.

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-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one?

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one has a molecular weight of 591.59 g/mol, XLogP of 4.55, 8 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-4-yl]methyl]-5-pyridin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 155729471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).