2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone

C26H25FN4O — CID 155796275

About 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 155796275) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
• PubChem CID: 155796275
• Molecular Formula: C26H25FN4O
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.20
• IUPAC Name: 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
• SMILES: CN1CCN(C(=O)Cc2ccccc2F)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
• InChI: InChI=1S/C26H25FN4O/c1-30-12-13-31(25(32)15-20-8-4-5-9-22(20)27)24(17-30)26-28-16-23(29-26)21-11-10-18-6-2-3-7-19(18)14-21/h2-11,14,16,24H,12-13,15,17H2,1H3,(H,28,29)
• InChIKey: HAMOABYKEIMIQS-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.51
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?

The IUPAC name of 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone (CID 155796275) is 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone is CN1CCN(C(=O)Cc2ccccc2F)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.

What is the InChIKey of 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?

The InChIKey is HAMOABYKEIMIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-30-12-13-31(25(32)15-20-8-4-5-9-22(20)27)24(17-30)26-28-16-23(29-26)21-11-10-18-6-2-3-7-19(18)14-21/h2-11,14,16,24H,12-13,15,17H2,1H3,(H,28,29).

What are the key properties of 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?

2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 428.51 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 155796275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).