5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole

C12H13BrN2O — CID 117192754

IUPAC5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole
SMILESCc1ncc(COc2ccccc2Br)n1C
InChIInChI=1S/C12H13BrN2O/c1-9-14-7-10(15(9)2)8-16-12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3
InChIKeyJYEFZKQMDCYXCF-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.07
Rot. Bonds3

About 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole

5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole (PubChem CID 117192754) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole
PubChem CID117192754
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole
SMILESCc1ncc(COc2ccccc2Br)n1C
InChIInChI=1S/C12H13BrN2O/c1-9-14-7-10(15(9)2)8-16-12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3
InChIKeyJYEFZKQMDCYXCF-UHFFFAOYSA-N
XLogP3.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol
CID 117192761
2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
CID 117188596
CID 166089440
CID 166089440
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
2-[(2-methyl-3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 117193031
4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 169336896
6-bromo-3-[(2-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256192
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
4-[(2-bromophenoxy)methyl]-1,2-oxazole
CID 60871511
2-[(2-bromophenoxy)methyl]-5-methyl-1-(4-methylphenyl)sulfonylindole
CID 102502829
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
(2-bromophenoxy)methyl-trifluoro-λ4-sulfane
CID 175094487

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole (CID 117192754) is 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole is Cc1ncc(COc2ccccc2Br)n1C.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole?
The InChIKey is JYEFZKQMDCYXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-9-14-7-10(15(9)2)8-16-12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3.
What are the key properties of 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole?
5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole has a molecular weight of 281.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole is sourced from PubChem (CID 117192754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).