2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid

C11H9BrN2O3 — CID 117189489

IUPAC2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1Oc1cccc(Br)c1
InChIInChI=1S/C11H9BrN2O3/c1-14-6-9(10(15)16)13-11(14)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,16)
InChIKeyOMZHNXFNBYUSFE-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.67
Rot. Bonds3

About 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid

2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid (PubChem CID 117189489) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid
PubChem CID117189489
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1Oc1cccc(Br)c1
InChIInChI=1S/C11H9BrN2O3/c1-14-6-9(10(15)16)13-11(14)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,16)
InChIKeyOMZHNXFNBYUSFE-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid
CID 117189235
6-(3-bromophenoxy)pyridazine-3-carboxylic acid
CID 60790683
4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole
CID 117189479
1-[2-(3-bromophenoxy)ethyl]triazole-4-carboxylic acid
CID 43151006
1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
CID 117187325
4-(3-bromophenoxy)-1-methylpyrazole
CID 115047051
1-[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]ethanone
CID 62728540
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
4-amino-1-[2-(3-bromophenoxy)ethyl]pyrazole-3-carboxylic acid
CID 107344238
2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876585
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid (CID 117189489) is 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid is Cn1cc(C(=O)O)nc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid?
The InChIKey is OMZHNXFNBYUSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-14-6-9(10(15)16)13-11(14)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid?
2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid has a molecular weight of 297.11 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 117189489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).