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

C25H21Cl2FN2O — CID 163408708

IUPAC1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole
SMILESCc1cc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)ccc1F
InChIInChI=1S/C25H21Cl2FN2O/c1-17-12-20(6-9-24(17)28)19-4-2-18(3-5-19)15-31-25(14-30-11-10-29-16-30)22-8-7-21(26)13-23(22)27/h2-13,16,25H,14-15H2,1H3
InChIKeyAZRDZVUBEDNTKG-UHFFFAOYSA-N
MW455.36 g/mol
LogP7.26
Rot. Bonds7

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

1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole (PubChem CID 163408708) has the molecular formula C25H21Cl2FN2O and a molecular weight of 455.36 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole
PubChem CID163408708
Molecular FormulaC25H21Cl2FN2O
Molecular Weight455.36 g/mol
Exact Mass454.10
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole
SMILESCc1cc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)ccc1F
InChIInChI=1S/C25H21Cl2FN2O/c1-17-12-20(6-9-24(17)28)19-4-2-18(3-5-19)15-31-25(14-30-11-10-29-16-30)22-8-7-21(26)13-23(22)27/h2-13,16,25H,14-15H2,1H3
InChIKeyAZRDZVUBEDNTKG-UHFFFAOYSA-N
XLogP7.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.36
LogP ≤ 57.26
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-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole (CID 163408708) is 1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole is Cc1cc(-c2ccc(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cc2)ccc1F.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole?
The InChIKey is AZRDZVUBEDNTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN2O/c1-17-12-20(6-9-24(17)28)19-4-2-18(3-5-19)15-31-25(14-30-11-10-29-16-30)22-8-7-21(26)13-23(22)27/h2-13,16,25H,14-15H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-[[4-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole has a molecular weight of 455.36 g/mol, XLogP of 7.26, 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-(4-fluoro-3-methylphenyl)phenyl]methoxy]ethyl]imidazole is sourced from PubChem (CID 163408708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).