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

C29H26F7N7O2 — CID 155729390

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

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 155729390) has the molecular formula C29H26F7N7O2 and a molecular weight of 637.56 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one
• PubChem CID: 155729390
• Molecular Formula: C29H26F7N7O2
• Molecular Weight: 637.56 g/mol
• Exact Mass: 637.20
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one
• SMILES: O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(C3=CNCC=C3)cc2n1C1CCN(CC(F)(F)C(F)F)CC1
• InChI: InChI=1S/C29H26F7N7O2/c30-21-11-22-23(10-20(21)16-2-1-7-37-12-16)43(19-5-8-41(9-6-19)15-29(35,36)27(33)34)28(44)42(22)14-18-4-3-17(13-38-18)25-39-40-26(45-25)24(31)32/h1-4,10-13,19,24,27,37H,5-9,14-15H2
• InChIKey: RFBPHVOASBFUFP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 94.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.56
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
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]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one?

The IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one (CID 155729390) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one.

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

The canonical SMILES for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one is O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)c(C3=CNCC=C3)cc2n1C1CCN(CC(F)(F)C(F)F)CC1.

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

The InChIKey is RFBPHVOASBFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F7N7O2/c30-21-11-22-23(10-20(21)16-2-1-7-37-12-16)43(19-5-8-41(9-6-19)15-29(35,36)27(33)34)28(44)42(22)14-18-4-3-17(13-38-18)25-39-40-26(45-25)24(31)32/h1-4,10-13,19,24,27,37H,5-9,14-15H2.

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

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 637.56 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 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]-5-(1,2-dihydropyridin-5-yl)-6-fluoro-3-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 155729390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).