5-bromo-2-(4-chlorophenoxy)-1-methylimidazole

C10H8BrClN2O — CID 117190500

IUPAC5-bromo-2-(4-chlorophenoxy)-1-methylimidazole
SMILESCn1c(Br)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C10H8BrClN2O/c1-14-9(11)6-13-10(14)15-8-4-2-7(12)3-5-8/h2-6H,1H3
InChIKeyCMOFEIIXXDBJOX-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.63
Rot. Bonds2

About 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole

5-bromo-2-(4-chlorophenoxy)-1-methylimidazole (PubChem CID 117190500) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole.

Molecular Properties

Compound Name5-bromo-2-(4-chlorophenoxy)-1-methylimidazole
PubChem CID117190500
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name5-bromo-2-(4-chlorophenoxy)-1-methylimidazole
SMILESCn1c(Br)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C10H8BrClN2O/c1-14-9(11)6-13-10(14)15-8-4-2-7(12)3-5-8/h2-6H,1H3
InChIKeyCMOFEIIXXDBJOX-UHFFFAOYSA-N
XLogP3.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
CID 117190479
5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
CID 117260362
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
2-bromo-5-(4-chlorophenoxy)pyridine
CID 102468097
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
4-(5-amino-1-methylimidazol-2-yl)oxyphenol
CID 117190503
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489
2-(4-chlorophenoxy)-5-methyl-1,3-thiazole
CID 117190378
2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
CID 82390131
2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190509
2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole
CID 117189880
2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188413

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole?
The IUPAC name of 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole (CID 117190500) is 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole.
What is the SMILES notation for 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole?
The canonical SMILES for 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole is Cn1c(Br)cnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole?
The InChIKey is CMOFEIIXXDBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c1-14-9(11)6-13-10(14)15-8-4-2-7(12)3-5-8/h2-6H,1H3.
What are the key properties of 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole?
5-bromo-2-(4-chlorophenoxy)-1-methylimidazole has a molecular weight of 287.54 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chlorophenoxy)-1-methylimidazole is sourced from PubChem (CID 117190500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).