3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine

C17H15Cl2N3O — CID 118708818

IUPAC3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine
SMILESClc1ccc(C(Cn2ccnc2)OCc2cccnc2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c18-14-3-4-15(16(19)8-14)17(10-22-7-6-21-12-22)23-11-13-2-1-5-20-9-13/h1-9,12,17H,10-11H2
InChIKeyLZLUUFLNJANHEW-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.54
Rot. Bonds6

About 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine

3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine (PubChem CID 118708818) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine
PubChem CID118708818
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine
SMILESClc1ccc(C(Cn2ccnc2)OCc2cccnc2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c18-14-3-4-15(16(19)8-14)17(10-22-7-6-21-12-22)23-11-13-2-1-5-20-9-13/h1-9,12,17H,10-11H2
InChIKeyLZLUUFLNJANHEW-UHFFFAOYSA-N
XLogP4.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine?
The IUPAC name of 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine (CID 118708818) is 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine.
What is the SMILES notation for 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine?
The canonical SMILES for 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine is Clc1ccc(C(Cn2ccnc2)OCc2cccnc2)c(Cl)c1.
What is the InChIKey of 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine?
The InChIKey is LZLUUFLNJANHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-14-3-4-15(16(19)8-14)17(10-22-7-6-21-12-22)23-11-13-2-1-5-20-9-13/h1-9,12,17H,10-11H2.
What are the key properties of 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine?
3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine has a molecular weight of 348.23 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]pyridine is sourced from PubChem (CID 118708818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).