1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole

C20H19Cl3N2O — CID 3006879

IUPAC1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
SMILESClc1ccc(OCCCC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H19Cl3N2O/c21-16-3-6-18(7-4-16)26-11-1-2-15(13-25-10-9-24-14-25)19-8-5-17(22)12-20(19)23/h3-10,12,14-15H,1-2,11,13H2
InChIKeyDUFVHGNXDANSDR-UHFFFAOYSA-N
MW409.74 g/mol
LogP6.49
Rot. Bonds8

About 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole

1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole (PubChem CID 3006879) has the molecular formula C20H19Cl3N2O and a molecular weight of 409.74 g/mol. Its IUPAC name is 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
PubChem CID3006879
Molecular FormulaC20H19Cl3N2O
Molecular Weight409.74 g/mol
Exact Mass408.06
IUPAC Name1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
SMILESClc1ccc(OCCCC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H19Cl3N2O/c21-16-3-6-18(7-4-16)26-11-1-2-15(13-25-10-9-24-14-25)19-8-5-17(22)12-20(19)23/h3-10,12,14-15H,1-2,11,13H2
InChIKeyDUFVHGNXDANSDR-UHFFFAOYSA-N
XLogP6.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.74
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 170562609
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
CID 170562599
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 3006905
1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054932
1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
CID 21499632
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
CID 3054902
1-[2-[2-(4-bromophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 24838966
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole?
The IUPAC name of 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole (CID 3006879) is 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole.
What is the SMILES notation for 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole?
The canonical SMILES for 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole is Clc1ccc(OCCCC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole?
The InChIKey is DUFVHGNXDANSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O/c21-16-3-6-18(7-4-16)26-11-1-2-15(13-25-10-9-24-14-25)19-8-5-17(22)12-20(19)23/h3-10,12,14-15H,1-2,11,13H2.
What are the key properties of 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole?
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole has a molecular weight of 409.74 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole is sourced from PubChem (CID 3006879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).