4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole

C17H12ClF3N2O — CID 66954826

IUPAC4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole
SMILESCOc1ccc(F)c(-c2c(Cl)nc(C)n2-c2ccc(F)cc2)c1F
InChIInChI=1S/C17H12ClF3N2O/c1-9-22-17(18)16(23(9)11-5-3-10(19)4-6-11)14-12(20)7-8-13(24-2)15(14)21/h3-8H,1-2H3
InChIKeyOWAMDJUAHYWEQM-UHFFFAOYSA-N
MW352.74 g/mol
LogP4.93
Rot. Bonds3

About 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole

4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole (PubChem CID 66954826) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole.

Molecular Properties

Compound Name4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole
PubChem CID66954826
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole
SMILESCOc1ccc(F)c(-c2c(Cl)nc(C)n2-c2ccc(F)cc2)c1F
InChIInChI=1S/C17H12ClF3N2O/c1-9-22-17(18)16(23(9)11-5-3-10(19)4-6-11)14-12(20)7-8-13(24-2)15(14)21/h3-8H,1-2H3
InChIKeyOWAMDJUAHYWEQM-UHFFFAOYSA-N
XLogP4.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole?
The IUPAC name of 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole (CID 66954826) is 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole.
What is the SMILES notation for 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole?
The canonical SMILES for 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole is COc1ccc(F)c(-c2c(Cl)nc(C)n2-c2ccc(F)cc2)c1F.
What is the InChIKey of 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole?
The InChIKey is OWAMDJUAHYWEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c1-9-22-17(18)16(23(9)11-5-3-10(19)4-6-11)14-12(20)7-8-13(24-2)15(14)21/h3-8H,1-2H3.
What are the key properties of 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole?
4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole has a molecular weight of 352.74 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole is sourced from PubChem (CID 66954826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).