1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole

C24H19Cl2FN2O — CID 163408703

IUPAC1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole
SMILESFc1cccc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C24H19Cl2FN2O/c25-20-8-9-22(23(26)13-20)24(14-29-11-10-28-16-29)30-15-17-4-6-18(7-5-17)19-2-1-3-21(27)12-19/h1-13,16,24H,14-15H2
InChIKeyUXYBLHNXMBDZGS-UHFFFAOYSA-N
MW441.33 g/mol
LogP6.95
Rot. Bonds7

About 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole

1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole (PubChem CID 163408703) has the molecular formula C24H19Cl2FN2O and a molecular weight of 441.33 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole
PubChem CID163408703
Molecular FormulaC24H19Cl2FN2O
Molecular Weight441.33 g/mol
Exact Mass440.09
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole
SMILESFc1cccc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C24H19Cl2FN2O/c25-20-8-9-22(23(26)13-20)24(14-29-11-10-28-16-29)30-15-17-4-6-18(7-5-17)19-2-1-3-21(27)12-19/h1-13,16,24H,14-15H2
InChIKeyUXYBLHNXMBDZGS-UHFFFAOYSA-N
XLogP6.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.33
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole (CID 163408703) is 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole is Fc1cccc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole?
The InChIKey is UXYBLHNXMBDZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN2O/c25-20-8-9-22(23(26)13-20)24(14-29-11-10-28-16-29)30-15-17-4-6-18(7-5-17)19-2-1-3-21(27)12-19/h1-13,16,24H,14-15H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole has a molecular weight of 441.33 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-[[4-(3-fluorophenyl)phenyl]methoxy]ethyl]imidazole is sourced from PubChem (CID 163408703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).