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

C23H26N4O2 — CID 162657867

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cncn3[C@H](C)c3ccccc3)CC2)cc1
InChIInChI=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
InChIKeyRROFHJSZMIIZHL-GOSISDBHSA-N
MW390.49 g/mol
LogP3.46
Rot. Bonds5

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 CID162657867
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cncn3[C@H](C)c3ccccc3)CC2)cc1
InChIInChI=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
InChIKeyRROFHJSZMIIZHL-GOSISDBHSA-N
XLogP3.46
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).