2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole

C12H12F2N2 — CID 70942543

IUPAC2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole
SMILESCC(c1c(F)cccc1F)c1nccn1C
InChIInChI=1S/C12H12F2N2/c1-8(12-15-6-7-16(12)2)11-9(13)4-3-5-10(11)14/h3-8H,1-2H3
InChIKeyGFHJAMXFNVSIND-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.85
Rot. Bonds2

About 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole

2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole (PubChem CID 70942543) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole
PubChem CID70942543
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole
SMILESCC(c1c(F)cccc1F)c1nccn1C
InChIInChI=1S/C12H12F2N2/c1-8(12-15-6-7-16(12)2)11-9(13)4-3-5-10(11)14/h3-8H,1-2H3
InChIKeyGFHJAMXFNVSIND-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308170
3-fluoro-2-iodo-N-[1-(1-methylimidazol-2-yl)ethyl]aniline
CID 114258324
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 97211639
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079
fluoroform;2-(1-methoxyethyl)-1-methylimidazole
CID 174709320
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole?
The IUPAC name of 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole (CID 70942543) is 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole is CC(c1c(F)cccc1F)c1nccn1C.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole?
The InChIKey is GFHJAMXFNVSIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-8(12-15-6-7-16(12)2)11-9(13)4-3-5-10(11)14/h3-8H,1-2H3.
What are the key properties of 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole?
2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole has a molecular weight of 222.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole is sourced from PubChem (CID 70942543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).