2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole

C13H15BrN2O — CID 117188596

IUPAC2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
SMILESCCn1c(C)cnc1COc1ccccc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-16-10(2)8-15-13(16)9-17-12-7-5-4-6-11(12)14/h4-8H,3,9H2,1-2H3
InChIKeyCPJDQCLTYKQOMK-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole

2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole (PubChem CID 117188596) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
PubChem CID117188596
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
SMILESCCn1c(C)cnc1COc1ccccc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-16-10(2)8-15-13(16)9-17-12-7-5-4-6-11(12)14/h4-8H,3,9H2,1-2H3
InChIKeyCPJDQCLTYKQOMK-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[(2-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188610
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole
CID 117192754
4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 169336896
2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole
CID 117190659
2-(1-ethyl-5-methylimidazol-2-yl)oxyphenol
CID 117190674
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
CID 117188694
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole?
The IUPAC name of 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole (CID 117188596) is 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole is CCn1c(C)cnc1COc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole?
The InChIKey is CPJDQCLTYKQOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-16-10(2)8-15-13(16)9-17-12-7-5-4-6-11(12)14/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole?
2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole has a molecular weight of 295.18 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole is sourced from PubChem (CID 117188596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).