2-(4-bromophenoxy)-1-methylimidazole

C10H9BrN2O — CID 62132552

IUPAC2-(4-bromophenoxy)-1-methylimidazole
SMILESCn1ccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,1H3
InChIKeyIYIHXAXAIUVACU-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.97
Rot. Bonds2

About 2-(4-bromophenoxy)-1-methylimidazole

2-(4-bromophenoxy)-1-methylimidazole (PubChem CID 62132552) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-methylimidazole
PubChem CID62132552
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-(4-bromophenoxy)-1-methylimidazole
SMILESCn1ccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,1H3
InChIKeyIYIHXAXAIUVACU-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-(4-bromophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol
CID 2953277
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-[5-(3-Bromophenoxy)pentyl]imidazole
CID 118733120
1-[3-(2-bromo-4-methylphenoxy)propyl]-1H-imidazole
CID 2922618
1-[2-(4-Bromophenoxy)ethyl]-1H-imidazole
CID 867248
1-(2-(3-Bromophenoxy)Ethyl)-1H-Imidazole
CID 803108
1-(5-Bromo-2-methoxyphenyl)sulfonylimidazole
CID 775768
1-[6-(4-Bromophenoxy)hexyl]imidazole
CID 2843859
1-(4-(3-bromophenoxy)butyl)-1H-imidazole
CID 44586265
2-[2-(4-Bromophenoxy)ethylsulfanyl]-1-methylimidazole;hydrobromide
CID 12381173
2-(4-Chlorophenoxy)-1-methyl-imidazole
CID 307940

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-methylimidazole?
The IUPAC name of 2-(4-bromophenoxy)-1-methylimidazole (CID 62132552) is 2-(4-bromophenoxy)-1-methylimidazole.
What is the SMILES notation for 2-(4-bromophenoxy)-1-methylimidazole?
The canonical SMILES for 2-(4-bromophenoxy)-1-methylimidazole is Cn1ccnc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-methylimidazole?
The InChIKey is IYIHXAXAIUVACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-methylimidazole?
2-(4-bromophenoxy)-1-methylimidazole has a molecular weight of 253.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-methylimidazole is sourced from PubChem (CID 62132552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).