5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole

C11H11FN2O — CID 58951942

IUPAC5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole
SMILESCOc1ccc(F)c(Cc2cnc[nH]2)c1
InChIInChI=1S/C11H11FN2O/c1-15-10-2-3-11(12)8(5-10)4-9-6-13-7-14-9/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyZCZRTGGRLCNODF-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.15
Rot. Bonds3

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

5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole (PubChem CID 58951942) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole
PubChem CID58951942
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole
SMILESCOc1ccc(F)c(Cc2cnc[nH]2)c1
InChIInChI=1S/C11H11FN2O/c1-15-10-2-3-11(12)8(5-10)4-9-6-13-7-14-9/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyZCZRTGGRLCNODF-UHFFFAOYSA-N
XLogP2.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole (CID 58951942) is 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole is COc1ccc(F)c(Cc2cnc[nH]2)c1.
What is the InChIKey of 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole?
The InChIKey is ZCZRTGGRLCNODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-15-10-2-3-11(12)8(5-10)4-9-6-13-7-14-9/h2-3,5-7H,4H2,1H3,(H,13,14).
What are the key properties of 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole?
5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole has a molecular weight of 206.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 58951942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).