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

C11H11FN2O — CID 167112019

IUPAC2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole
SMILESCc1ccc(F)c(OCc2ncc[nH]2)c1
InChIInChI=1S/C11H11FN2O/c1-8-2-3-9(12)10(6-8)15-7-11-13-4-5-14-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeySAQSGDVEYZFCDC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.44
Rot. Bonds3

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

2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole (PubChem CID 167112019) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole
PubChem CID167112019
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole
SMILESCc1ccc(F)c(OCc2ncc[nH]2)c1
InChIInChI=1S/C11H11FN2O/c1-8-2-3-9(12)10(6-8)15-7-11-13-4-5-14-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeySAQSGDVEYZFCDC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole?
The IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole (CID 167112019) is 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole is Cc1ccc(F)c(OCc2ncc[nH]2)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole?
The InChIKey is SAQSGDVEYZFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-2-3-9(12)10(6-8)15-7-11-13-4-5-14-11/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole?
2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole has a molecular weight of 206.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenoxy)methyl]-1H-imidazole is sourced from PubChem (CID 167112019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).