2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole

C12H13FN2 — CID 58951735

IUPAC2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole
SMILESCc1cc(F)cc(C)c1Cc1ncc[nH]1
InChIInChI=1S/C12H13FN2/c1-8-5-10(13)6-9(2)11(8)7-12-14-3-4-15-12/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyQFIFMNAUVKLYQR-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.76
Rot. Bonds2

About 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole

2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole (PubChem CID 58951735) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole
PubChem CID58951735
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole
SMILESCc1cc(F)cc(C)c1Cc1ncc[nH]1
InChIInChI=1S/C12H13FN2/c1-8-5-10(13)6-9(2)11(8)7-12-14-3-4-15-12/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyQFIFMNAUVKLYQR-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole (CID 58951735) is 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole is Cc1cc(F)cc(C)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole?
The InChIKey is QFIFMNAUVKLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-8-5-10(13)6-9(2)11(8)7-12-14-3-4-15-12/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole?
2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole has a molecular weight of 204.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 58951735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).