2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole

C13H15BrN2O — CID 117190772

IUPAC2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole
SMILESCc1cnc(Oc2ccc(Br)cc2)n1C(C)C
InChIInChI=1S/C13H15BrN2O/c1-9(2)16-10(3)8-15-13(16)17-12-6-4-11(14)5-7-12/h4-9H,1-3H3
InChIKeyCYJOJMBMMWOUKV-UHFFFAOYSA-N
MW295.18 g/mol
LogP4.33
Rot. Bonds3

About 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole

2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole (PubChem CID 117190772) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole
PubChem CID117190772
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole
SMILESCc1cnc(Oc2ccc(Br)cc2)n1C(C)C
InChIInChI=1S/C13H15BrN2O/c1-9(2)16-10(3)8-15-13(16)17-12-6-4-11(14)5-7-12/h4-9H,1-3H3
InChIKeyCYJOJMBMMWOUKV-UHFFFAOYSA-N
XLogP4.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole (CID 117190772) is 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole is Cc1cnc(Oc2ccc(Br)cc2)n1C(C)C.
What is the InChIKey of 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole?
The InChIKey is CYJOJMBMMWOUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9(2)16-10(3)8-15-13(16)17-12-6-4-11(14)5-7-12/h4-9H,1-3H3.
What are the key properties of 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole?
2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole has a molecular weight of 295.18 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117190772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).