5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine

C22H17ClFN3O — CID 46213057

IUPAC5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine
SMILESCOc1ccc(Cc2ccc(-n3ccnc3)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O/c1-28-19-7-6-17(22(24)21(19)16-3-2-4-18(23)12-16)11-15-5-8-20(26-13-15)27-10-9-25-14-27/h2-10,12-14H,11H2,1H3
InChIKeyFDWGRNFHYXXELK-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.33
Rot. Bonds5

About 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine (PubChem CID 46213057) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine
PubChem CID46213057
Molecular FormulaC22H17ClFN3O
Molecular Weight393.85 g/mol
Exact Mass393.10
IUPAC Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine
SMILESCOc1ccc(Cc2ccc(-n3ccnc3)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O/c1-28-19-7-6-17(22(24)21(19)16-3-2-4-18(23)12-16)11-15-5-8-20(26-13-15)27-10-9-25-14-27/h2-10,12-14H,11H2,1H3
InChIKeyFDWGRNFHYXXELK-UHFFFAOYSA-N
XLogP5.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine?
The IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine (CID 46213057) is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine is COc1ccc(Cc2ccc(-n3ccnc3)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine?
The InChIKey is FDWGRNFHYXXELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c1-28-19-7-6-17(22(24)21(19)16-3-2-4-18(23)12-16)11-15-5-8-20(26-13-15)27-10-9-25-14-27/h2-10,12-14H,11H2,1H3.
What are the key properties of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine?
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine has a molecular weight of 393.85 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-imidazol-1-ylpyridine is sourced from PubChem (CID 46213057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).