4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole

C16H12F2N2O — CID 22718134

IUPAC4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole
SMILESCn1cnc(-c2ccc(Oc3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C16H12F2N2O/c1-20-9-15(19-10-20)11-2-5-13(6-3-11)21-16-7-4-12(17)8-14(16)18/h2-10H,1H3
InChIKeyVNTKSCYVARMLAO-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.16
Rot. Bonds3

About 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole

4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole (PubChem CID 22718134) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole
PubChem CID22718134
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole
SMILESCn1cnc(-c2ccc(Oc3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C16H12F2N2O/c1-20-9-15(19-10-20)11-2-5-13(6-3-11)21-16-7-4-12(17)8-14(16)18/h2-10H,1H3
InChIKeyVNTKSCYVARMLAO-UHFFFAOYSA-N
XLogP4.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole?
The IUPAC name of 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole (CID 22718134) is 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole.
What is the SMILES notation for 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole?
The canonical SMILES for 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole is Cn1cnc(-c2ccc(Oc3ccc(F)cc3F)cc2)c1.
What is the InChIKey of 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole?
The InChIKey is VNTKSCYVARMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-20-9-15(19-10-20)11-2-5-13(6-3-11)21-16-7-4-12(17)8-14(16)18/h2-10H,1H3.
What are the key properties of 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole?
4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole has a molecular weight of 286.28 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole is sourced from PubChem (CID 22718134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).