1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole

C12H10F2N2O — CID 22285361

IUPAC1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
SMILESFc1ccc(C2(Cn3ccnc3)CO2)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-9-1-2-10(11(14)5-9)12(7-17-12)6-16-4-3-15-8-16/h1-5,8H,6-7H2
InChIKeyZLFKENRQURFQRT-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.09
Rot. Bonds3

About 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole

1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole (PubChem CID 22285361) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
PubChem CID22285361
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
SMILESFc1ccc(C2(Cn3ccnc3)CO2)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-9-1-2-10(11(14)5-9)12(7-17-12)6-16-4-3-15-8-16/h1-5,8H,6-7H2
InChIKeyZLFKENRQURFQRT-UHFFFAOYSA-N
XLogP2.09
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
1-[[(2R,4S)-2-(2,4-difluorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]imidazole
CID 10641295
[(2R,4S)-2-(2,4-difluorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 10827753
1-[[(2R,4S)-2-(2,4-difluorophenyl)-2-imidazol-1-yl-1,3-dioxolan-4-yl]methyl]imidazole
CID 3009137
1-[[2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 13208069
1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
CID 19913066
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
1-[[2-(2,4-difluorophenyl)oxan-2-yl]methyl]-1,2,4-triazole
CID 172701548
4-(chloromethyl)-4-(2,4-difluorophenyl)-2,2-dimethyl-1,3-dioxolane
CID 22464438
1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
1-[[(2R)-2-(2,4-difluorophenyl)-4-methylideneoxolan-2-yl]methyl]-1,2,4-triazole
CID 102443432
1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole
CID 15008590

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole (CID 22285361) is 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole is Fc1ccc(C2(Cn3ccnc3)CO2)c(F)c1.
What is the InChIKey of 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole?
The InChIKey is ZLFKENRQURFQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-1-2-10(11(14)5-9)12(7-17-12)6-16-4-3-15-8-16/h1-5,8H,6-7H2.
What are the key properties of 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole?
1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole has a molecular weight of 236.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole is sourced from PubChem (CID 22285361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).