2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole

C12H12F2N2 — CID 58951903

IUPAC2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole
SMILESCCc1c(F)ccc(F)c1Cc1ncc[nH]1
InChIInChI=1S/C12H12F2N2/c1-2-8-9(7-12-15-5-6-16-12)11(14)4-3-10(8)13/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyZTWQWCWVEUKHKQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.84
Rot. Bonds3

About 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole

2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole (PubChem CID 58951903) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole
PubChem CID58951903
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole
SMILESCCc1c(F)ccc(F)c1Cc1ncc[nH]1
InChIInChI=1S/C12H12F2N2/c1-2-8-9(7-12-15-5-6-16-12)11(14)4-3-10(8)13/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyZTWQWCWVEUKHKQ-UHFFFAOYSA-N
XLogP2.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethyl-3-fluorophenyl)methyl]-1H-imidazole
CID 69120216
2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole
CID 58951735
ethane;2-ethyl-1H-imidazole
CID 144736598
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777
2-ethyl-1H-imidazole;methanol
CID 176573862
2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole
CID 58951728
2,4-difluoro-N-(1H-imidazol-2-ylmethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106069224
2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole
CID 170198207
2-[(3,5-dimethylphenyl)methyl]-1H-imidazole
CID 174788270
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole (CID 58951903) is 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole is CCc1c(F)ccc(F)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole?
The InChIKey is ZTWQWCWVEUKHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-2-8-9(7-12-15-5-6-16-12)11(14)4-3-10(8)13/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole?
2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole has a molecular weight of 222.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3,6-difluorophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 58951903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).