1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole

C24H20Cl2N2O2 — CID 3054902

IUPAC1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)OCOc2ccc(-c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2O2/c25-20-8-11-22(23(26)14-20)24(15-28-13-12-27-16-28)30-17-29-21-9-6-19(7-10-21)18-4-2-1-3-5-18/h1-14,16,24H,15,17H2
InChIKeySNUPHUAJQNGPIF-UHFFFAOYSA-N
MW439.34 g/mol
LogP6.65
Rot. Bonds8

About 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole

1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole (PubChem CID 3054902) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
PubChem CID3054902
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)OCOc2ccc(-c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2O2/c25-20-8-11-22(23(26)14-20)24(15-28-13-12-27-16-28)30-17-29-21-9-6-19(7-10-21)18-4-2-1-3-5-18/h1-14,16,24H,15,17H2
InChIKeySNUPHUAJQNGPIF-UHFFFAOYSA-N
XLogP6.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054932
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
CID 3009148
2-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]isoindole-1,3-dione
CID 10949425
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-[2-[2-(4-bromophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 24838966
5-[3-[4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]phenyl]phenyl]-2H-tetrazole
CID 51001699

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole (CID 3054902) is 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole is Clc1ccc(C(Cn2ccnc2)OCOc2ccc(-c3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole?
The InChIKey is SNUPHUAJQNGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c25-20-8-11-22(23(26)14-20)24(15-28-13-12-27-16-28)30-17-29-21-9-6-19(7-10-21)18-4-2-1-3-5-18/h1-14,16,24H,15,17H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole has a molecular weight of 439.34 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole is sourced from PubChem (CID 3054902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).