2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole

C12H13FN2 — CID 66771238

IUPAC2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole
SMILESCc1c(F)cccc1C(C)c1ncc[nH]1
InChIInChI=1S/C12H13FN2/c1-8-10(4-3-5-11(8)13)9(2)12-14-6-7-15-12/h3-7,9H,1-2H3,(H,14,15)
InChIKeyFXMXNTBODARFQD-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.01
Rot. Bonds2

About 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole

2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole (PubChem CID 66771238) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole
PubChem CID66771238
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole
SMILESCc1c(F)cccc1C(C)c1ncc[nH]1
InChIInChI=1S/C12H13FN2/c1-8-10(4-3-5-11(8)13)9(2)12-14-6-7-15-12/h3-7,9H,1-2H3,(H,14,15)
InChIKeyFXMXNTBODARFQD-UHFFFAOYSA-N
XLogP3.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole
CID 124562149
2-(3-fluoro-2-methylphenyl)-1H-imidazole
CID 55254600
2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole
CID 68875748
2-(2,6-difluorophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 68677003
3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
CID 106520172
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
N-chloro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 123216926
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole
CID 124562144
2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole
CID 124562179
2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
CID 116834897

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole (CID 66771238) is 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole is Cc1c(F)cccc1C(C)c1ncc[nH]1.
What is the InChIKey of 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole?
The InChIKey is FXMXNTBODARFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-8-10(4-3-5-11(8)13)9(2)12-14-6-7-15-12/h3-7,9H,1-2H3,(H,14,15).
What are the key properties of 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole?
2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole has a molecular weight of 204.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 66771238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).