1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine

C27H25Cl3N4 — CID 22285585

IUPAC1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4Cl)n3)CC2)cc1
InChIInChI=1S/C27H25Cl3N4/c1-19-2-7-23(8-3-19)33-14-12-32(13-15-33)17-22-18-34(24-9-4-20(28)5-10-24)27(31-22)25-11-6-21(29)16-26(25)30/h2-11,16,18H,12-15,17H2,1H3
InChIKeyGPUIKPHBLIVHFA-UHFFFAOYSA-N
MW511.88 g/mol
LogP7.13
Rot. Bonds5

About 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine

1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine (PubChem CID 22285585) has the molecular formula C27H25Cl3N4 and a molecular weight of 511.88 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine
PubChem CID22285585
Molecular FormulaC27H25Cl3N4
Molecular Weight511.88 g/mol
Exact Mass510.11
IUPAC Name1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4Cl)n3)CC2)cc1
InChIInChI=1S/C27H25Cl3N4/c1-19-2-7-23(8-3-19)33-14-12-32(13-15-33)17-22-18-34(24-9-4-20(28)5-10-24)27(31-22)25-11-6-21(29)16-26(25)30/h2-11,16,18H,12-15,17H2,1H3
InChIKeyGPUIKPHBLIVHFA-UHFFFAOYSA-N
XLogP7.13
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.88
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine (CID 22285585) is 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4Cl)n3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine?
The InChIKey is GPUIKPHBLIVHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl3N4/c1-19-2-7-23(8-3-19)33-14-12-32(13-15-33)17-22-18-34(24-9-4-20(28)5-10-24)27(31-22)25-11-6-21(29)16-26(25)30/h2-11,16,18H,12-15,17H2,1H3.
What are the key properties of 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine?
1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine has a molecular weight of 511.88 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 22285585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).