5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole

C13H15BrN2O — CID 130471937

IUPAC5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole
SMILESCOc1ccc(C)cc1-c1nc(C)c(Br)n1C
InChIInChI=1S/C13H15BrN2O/c1-8-5-6-11(17-4)10(7-8)13-15-9(2)12(14)16(13)3/h5-7H,1-4H3
InChIKeyIHEWJZVTVTWRMY-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole

5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole (PubChem CID 130471937) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole
PubChem CID130471937
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole
SMILESCOc1ccc(C)cc1-c1nc(C)c(Br)n1C
InChIInChI=1S/C13H15BrN2O/c1-8-5-6-11(17-4)10(7-8)13-15-9(2)12(14)16(13)3/h5-7H,1-4H3
InChIKeyIHEWJZVTVTWRMY-UHFFFAOYSA-N
XLogP3.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole?
The IUPAC name of 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole (CID 130471937) is 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole.
What is the SMILES notation for 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole?
The canonical SMILES for 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole is COc1ccc(C)cc1-c1nc(C)c(Br)n1C.
What is the InChIKey of 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole?
The InChIKey is IHEWJZVTVTWRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-5-6-11(17-4)10(7-8)13-15-9(2)12(14)16(13)3/h5-7H,1-4H3.
What are the key properties of 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole?
5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole has a molecular weight of 295.18 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxy-5-methylphenyl)-1,4-dimethylimidazole is sourced from PubChem (CID 130471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).