2-(2-bromo-4-methylphenoxy)-1-methylimidazole

C11H11BrN2O — CID 62132553

IUPAC2-(2-bromo-4-methylphenoxy)-1-methylimidazole
SMILESCc1ccc(Oc2nccn2C)c(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-8-3-4-10(9(12)7-8)15-11-13-5-6-14(11)2/h3-7H,1-2H3
InChIKeyKARDITJKUZAROX-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.28
Rot. Bonds2

About 2-(2-bromo-4-methylphenoxy)-1-methylimidazole

2-(2-bromo-4-methylphenoxy)-1-methylimidazole (PubChem CID 62132553) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-1-methylimidazole.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-1-methylimidazole
PubChem CID62132553
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-(2-bromo-4-methylphenoxy)-1-methylimidazole
SMILESCc1ccc(Oc2nccn2C)c(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-8-3-4-10(9(12)7-8)15-11-13-5-6-14(11)2/h3-7H,1-2H3
InChIKeyKARDITJKUZAROX-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-1-methylimidazole?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-1-methylimidazole (CID 62132553) is 2-(2-bromo-4-methylphenoxy)-1-methylimidazole.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-1-methylimidazole?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-1-methylimidazole is Cc1ccc(Oc2nccn2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-1-methylimidazole?
The InChIKey is KARDITJKUZAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-3-4-10(9(12)7-8)15-11-13-5-6-14(11)2/h3-7H,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-1-methylimidazole?
2-(2-bromo-4-methylphenoxy)-1-methylimidazole has a molecular weight of 267.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-1-methylimidazole is sourced from PubChem (CID 62132553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).