5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine

C16H9ClF5N3O — CID 86651185

IUPAC5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1cc(F)c(-c2c(Cl)ncn2-c2ccc(C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C16H9ClF5N3O/c1-26-9-4-10(18)13(11(19)5-9)14-15(17)24-7-25(14)8-2-3-12(23-6-8)16(20,21)22/h2-7H,1H3
InChIKeyZCXAKUIWHDLUTE-UHFFFAOYSA-N
MW389.71 g/mol
LogP4.89
Rot. Bonds3

About 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine

5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine (PubChem CID 86651185) has the molecular formula C16H9ClF5N3O and a molecular weight of 389.71 g/mol. Its IUPAC name is 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine
PubChem CID86651185
Molecular FormulaC16H9ClF5N3O
Molecular Weight389.71 g/mol
Exact Mass389.04
IUPAC Name5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1cc(F)c(-c2c(Cl)ncn2-c2ccc(C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C16H9ClF5N3O/c1-26-9-4-10(18)13(11(19)5-9)14-15(17)24-7-25(14)8-2-3-12(23-6-8)16(20,21)22/h2-7H,1H3
InChIKeyZCXAKUIWHDLUTE-UHFFFAOYSA-N
XLogP4.89
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.71
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine (CID 86651185) is 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine is COc1cc(F)c(-c2c(Cl)ncn2-c2ccc(C(F)(F)F)nc2)c(F)c1.
What is the InChIKey of 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is ZCXAKUIWHDLUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF5N3O/c1-26-9-4-10(18)13(11(19)5-9)14-15(17)24-7-25(14)8-2-3-12(23-6-8)16(20,21)22/h2-7H,1H3.
What are the key properties of 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine?
5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 389.71 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-5-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 86651185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).