5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole

C11H11BrN2O — CID 116883755

IUPAC5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole
SMILESCOc1ncc(-c2cc(Br)ccc2C)[nH]1
InChIInChI=1S/C11H11BrN2O/c1-7-3-4-8(12)5-9(7)10-6-13-11(14-10)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyFYXOWDBFGLNRQU-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.16
Rot. Bonds2

About 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole

5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole (PubChem CID 116883755) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole
PubChem CID116883755
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole
SMILESCOc1ncc(-c2cc(Br)ccc2C)[nH]1
InChIInChI=1S/C11H11BrN2O/c1-7-3-4-8(12)5-9(7)10-6-13-11(14-10)15-2/h3-6H,1-2H3,(H,13,14)
InChIKeyFYXOWDBFGLNRQU-UHFFFAOYSA-N
XLogP3.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole?
The IUPAC name of 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole (CID 116883755) is 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole.
What is the SMILES notation for 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole?
The canonical SMILES for 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole is COc1ncc(-c2cc(Br)ccc2C)[nH]1.
What is the InChIKey of 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole?
The InChIKey is FYXOWDBFGLNRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-3-4-8(12)5-9(7)10-6-13-11(14-10)15-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole?
5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole has a molecular weight of 267.13 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole is sourced from PubChem (CID 116883755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).