5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole

C11H11FN2O — CID 50983015

IUPAC5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1cccc(F)c1-c1cnc(C)[nH]1
InChIInChI=1S/C11H11FN2O/c1-7-13-6-9(14-7)11-8(12)4-3-5-10(11)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyCOQLACWJTKDIBT-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.53
Rot. Bonds2

About 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole

5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole (PubChem CID 50983015) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole
PubChem CID50983015
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1cccc(F)c1-c1cnc(C)[nH]1
InChIInChI=1S/C11H11FN2O/c1-7-13-6-9(14-7)11-8(12)4-3-5-10(11)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyCOQLACWJTKDIBT-UHFFFAOYSA-N
XLogP2.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole (CID 50983015) is 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole is COc1cccc(F)c1-c1cnc(C)[nH]1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole?
The InChIKey is COQLACWJTKDIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-13-6-9(14-7)11-8(12)4-3-5-10(11)15-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole?
5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole has a molecular weight of 206.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 50983015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).