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

C24H26F3N7O2 — CID 155730017

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

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one (PubChem CID 155730017) has the molecular formula C24H26F3N7O2 and a molecular weight of 501.51 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-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)benzimidazol-2-one
• PubChem CID: 155730017
• Molecular Formula: C24H26F3N7O2
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.21
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one
• SMILES: CC(C)N1CCN(c2cc3c(cc2F)n(Cc2ccc(-c4nnc(C(F)F)o4)cn2)c(=O)n3C)CC1
• InChI: InChI=1S/C24H26F3N7O2/c1-14(2)32-6-8-33(9-7-32)18-11-19-20(10-17(18)25)34(24(35)31(19)3)13-16-5-4-15(12-28-16)22-29-30-23(36-22)21(26)27/h4-5,10-12,14,21H,6-9,13H2,1-3H3
• InChIKey: VZJFCZLCVJXDGY-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 85.22 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)benzimidazol-2-one (CID 155730017) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)benzimidazol-2-one is CC(C)N1CCN(c2cc3c(cc2F)n(Cc2ccc(-c4nnc(C(F)F)o4)cn2)c(=O)n3C)CC1.

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

The InChIKey is VZJFCZLCVJXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O2/c1-14(2)32-6-8-33(9-7-32)18-11-19-20(10-17(18)25)34(24(35)31(19)3)13-16-5-4-15(12-28-16)22-29-30-23(36-22)21(26)27/h4-5,10-12,14,21H,6-9,13H2,1-3H3.

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-propan-2-ylpiperazin-1-yl)benzimidazol-2-one?

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one has a molecular weight of 501.51 g/mol, XLogP of 3.44, 6 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-propan-2-ylpiperazin-1-yl)benzimidazol-2-one is sourced from PubChem (CID 155730017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).