N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C23H17F2N5O3 — CID 25334762

About N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 25334762) has the molecular formula C23H17F2N5O3 and a molecular weight of 449.42 g/mol. Its IUPAC name is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 25334762
• Molecular Formula: C23H17F2N5O3
• Molecular Weight: 449.42 g/mol
• Exact Mass: 449.13
• IUPAC Name: N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1
• InChI: InChI=1S/C23H17F2N5O3/c24-23(25)30-17-5-2-1-4-16(17)27-22(30)14-7-9-15(10-8-14)26-19(31)11-12-20-28-21(29-33-20)18-6-3-13-32-18/h1-10,13,23H,11-12H2,(H,26,31)
• InChIKey: ATPDZAYQPMARRG-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.42
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 25334762) is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1.

What is the InChIKey of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is ATPDZAYQPMARRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3/c24-23(25)30-17-5-2-1-4-16(17)27-22(30)14-7-9-15(10-8-14)26-19(31)11-12-20-28-21(29-33-20)18-6-3-13-32-18/h1-10,13,23H,11-12H2,(H,26,31).

What are the key properties of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 449.42 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 25334762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).