1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone

C25H21F2N3O3 — CID 59326885

About 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326885) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

• Compound Name: 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone
• PubChem CID: 59326885
• Molecular Formula: C25H21F2N3O3
• Molecular Weight: 449.46 g/mol
• Exact Mass: 449.16
• IUPAC Name: 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone
• SMILES: O=C(c1ccc(Oc2ncccc2C2(C(F)F)CCOCC2)cc1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C25H21F2N3O3/c26-24(27)25(11-14-32-15-12-25)18-4-3-13-28-23(18)33-17-9-7-16(8-10-17)21(31)22-29-19-5-1-2-6-20(19)30-22/h1-10,13,24H,11-12,14-15H2,(H,29,30)
• InChIKey: LDUPIDFDNVMQFC-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.46
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone?

The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone (CID 59326885) is 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone.

What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone?

The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2C2(C(F)F)CCOCC2)cc1)c1nc2ccccc2[nH]1.

What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone?

The InChIKey is LDUPIDFDNVMQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c26-24(27)25(11-14-32-15-12-25)18-4-3-13-28-23(18)33-17-9-7-16(8-10-17)21(31)22-29-19-5-1-2-6-20(19)30-22/h1-10,13,24H,11-12,14-15H2,(H,29,30).

What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone?

1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 449.46 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazol-2-yl-[4-[[3-[4-(difluoromethyl)oxan-4-yl]-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).