2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole

C12H13BrN2O — CID 117187302

IUPAC2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
SMILESCc1cn(C)c(COc2cccc(Br)c2)n1
InChIInChI=1S/C12H13BrN2O/c1-9-7-15(2)12(14-9)8-16-11-5-3-4-10(13)6-11/h3-7H,8H2,1-2H3
InChIKeyHSUZOFHYSFMRJP-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.07
Rot. Bonds3

About 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole

2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole (PubChem CID 117187302) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
PubChem CID117187302
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
SMILESCc1cn(C)c(COc2cccc(Br)c2)n1
InChIInChI=1S/C12H13BrN2O/c1-9-7-15(2)12(14-9)8-16-11-5-3-4-10(13)6-11/h3-7H,8H2,1-2H3
InChIKeyHSUZOFHYSFMRJP-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-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191932
1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
CID 117187325
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654684
5-[(3-bromophenoxy)methyl]-1-methylpyrazol-4-amine
CID 117217778
3-[2-(3-bromophenoxy)ethylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine
CID 24670947
2-[(3-bromophenoxy)methyl]-5-methyl-1H-indole
CID 117185390

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole (CID 117187302) is 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole is Cc1cn(C)c(COc2cccc(Br)c2)n1.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole?
The InChIKey is HSUZOFHYSFMRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-9-7-15(2)12(14-9)8-16-11-5-3-4-10(13)6-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole?
2-[(3-bromophenoxy)methyl]-1,4-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 2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole is sourced from PubChem (CID 117187302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).