[4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone

C₂₃H₂₆N₄O₂ — CID 162657867

About [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone (PubChem CID 162657867) has the molecular formula C₂₃H₂₆N₄O₂ and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone.

Molecular Properties

• Compound Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
• PubChem CID: 162657867
• Molecular Formula: C₂₃H₂₆N₄O₂
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
• SMILES: COc1ccc(N2CCN(C(=O)c3cncn3[C@H](C)c3ccccc3)CC2)cc1
• InChI: InChI=1S/C23H26N4O2/c1-18(19-6-4-3-5-7-19)27-17-24-16-22(27)23(28)26-14-12-25(13-15-26)20-8-10-21(29-2)11-9-20/h3-11,16-18H,12-15H2,1-2H3/t18-/m1/s1
• InChIKey: RROFHJSZMIIZHL-GOSISDBHSA-N
• XLogP: 3.46
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?

The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone (CID 162657867) is [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone.

What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?

The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone is COc1ccc(N2CCN(C(=O)c3cncn3[C@H](C)c3ccccc3)CC2)cc1.

What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?

The InChIKey is RROFHJSZMIIZHL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18(19-6-4-3-5-7-19)27-17-24-16-22(27)23(28)26-14-12-25(13-15-26)20-8-10-21(29-2)11-9-20/h3-11,16-18H,12-15H2,1-2H3/t18-/m1/s1.

What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?

[4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone is sourced from PubChem (CID 162657867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162657867 — identifiers, structure, computed properties (public domain)

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