3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one

C22H23F2N3O — CID 71886897

About 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one

3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 71886897) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 71886897
• Molecular Formula: C22H23F2N3O
• Molecular Weight: 383.44 g/mol
• Exact Mass: 383.18
• IUPAC Name: 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
• SMILES: Cn1c(C2CCCCN2C(=O)CCc2cc(F)ccc2F)nc2ccccc21
• InChI: InChI=1S/C22H23F2N3O/c1-26-19-7-3-2-6-18(19)25-22(26)20-8-4-5-13-27(20)21(28)12-9-15-14-16(23)10-11-17(15)24/h2-3,6-7,10-11,14,20H,4-5,8-9,12-13H2,1H3
• InChIKey: SYOPZWZHUUKSON-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.44
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one (CID 71886897) is 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one is Cn1c(C2CCCCN2C(=O)CCc2cc(F)ccc2F)nc2ccccc21.

What is the InChIKey of 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?

The InChIKey is SYOPZWZHUUKSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-26-19-7-3-2-6-18(19)25-22(26)20-8-4-5-13-27(20)21(28)12-9-15-14-16(23)10-11-17(15)24/h2-3,6-7,10-11,14,20H,4-5,8-9,12-13H2,1H3.

What are the key properties of 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?

3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 383.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71886897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).