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

C11H11BrN2O — CID 53415661

IUPAC1-(4-bromo-2-methoxyphenyl)-4-methylimidazole
SMILESCOc1cc(Br)ccc1-n1cnc(C)c1
InChIInChI=1S/C11H11BrN2O/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2/h3-7H,1-2H3
InChIKeyKHGOIOOGUJMLBQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.95
Rot. Bonds2

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

1-(4-bromo-2-methoxyphenyl)-4-methylimidazole (PubChem CID 53415661) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-4-methylimidazole
PubChem CID53415661
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(4-bromo-2-methoxyphenyl)-4-methylimidazole
SMILESCOc1cc(Br)ccc1-n1cnc(C)c1
InChIInChI=1S/C11H11BrN2O/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2/h3-7H,1-2H3
InChIKeyKHGOIOOGUJMLBQ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole 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 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole (CID 53415661) is 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole is COc1cc(Br)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole?
The InChIKey is KHGOIOOGUJMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2/h3-7H,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole?
1-(4-bromo-2-methoxyphenyl)-4-methylimidazole has a molecular weight of 267.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-4-methylimidazole is sourced from PubChem (CID 53415661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).