5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole

C16H12F2N2O — CID 12043641

IUPAC5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole
SMILESCc1ncc(-c2ccc(Oc3ccc(F)cc3F)cc2)[nH]1
InChIInChI=1S/C16H12F2N2O/c1-10-19-9-15(20-10)11-2-5-13(6-3-11)21-16-7-4-12(17)8-14(16)18/h2-9H,1H3,(H,19,20)
InChIKeyDIHPDGVREOKWAX-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.46
Rot. Bonds3

About 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole

5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole (PubChem CID 12043641) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole
PubChem CID12043641
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole
SMILESCc1ncc(-c2ccc(Oc3ccc(F)cc3F)cc2)[nH]1
InChIInChI=1S/C16H12F2N2O/c1-10-19-9-15(20-10)11-2-5-13(6-3-11)21-16-7-4-12(17)8-14(16)18/h2-9H,1H3,(H,19,20)
InChIKeyDIHPDGVREOKWAX-UHFFFAOYSA-N
XLogP4.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole
CID 22718134
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
CID 12986051
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine
CID 3703106
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole
CID 91527316

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole (CID 12043641) is 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole is Cc1ncc(-c2ccc(Oc3ccc(F)cc3F)cc2)[nH]1.
What is the InChIKey of 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole?
The InChIKey is DIHPDGVREOKWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-10-19-9-15(20-10)11-2-5-13(6-3-11)21-16-7-4-12(17)8-14(16)18/h2-9H,1H3,(H,19,20).
What are the key properties of 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole?
5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole has a molecular weight of 286.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 12043641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).