2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole

C17H20F2N2O2 — CID 174683843

IUPAC2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole
SMILESCC(C)(C)COc1c(/C=C/c2ncc[nH]2)cccc1OC(F)F
InChIInChI=1S/C17H20F2N2O2/c1-17(2,3)11-22-15-12(7-8-14-20-9-10-21-14)5-4-6-13(15)23-16(18)19/h4-10,16H,11H2,1-3H3,(H,20,21)/b8-7+
InChIKeyLSQRSDCGRBTMHZ-BQYQJAHWSA-N
MW322.36 g/mol
LogP4.61
Rot. Bonds6

About 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole

2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole (PubChem CID 174683843) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole
PubChem CID174683843
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole
SMILESCC(C)(C)COc1c(/C=C/c2ncc[nH]2)cccc1OC(F)F
InChIInChI=1S/C17H20F2N2O2/c1-17(2,3)11-22-15-12(7-8-14-20-9-10-21-14)5-4-6-13(15)23-16(18)19/h4-10,16H,11H2,1-3H3,(H,20,21)/b8-7+
InChIKeyLSQRSDCGRBTMHZ-BQYQJAHWSA-N
XLogP4.61
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole?
The IUPAC name of 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole (CID 174683843) is 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole?
The canonical SMILES for 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole is CC(C)(C)COc1c(/C=C/c2ncc[nH]2)cccc1OC(F)F.
What is the InChIKey of 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole?
The InChIKey is LSQRSDCGRBTMHZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-17(2,3)11-22-15-12(7-8-14-20-9-10-21-14)5-4-6-13(15)23-16(18)19/h4-10,16H,11H2,1-3H3,(H,20,21)/b8-7+.
What are the key properties of 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole?
2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole has a molecular weight of 322.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1H-imidazole is sourced from PubChem (CID 174683843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).