2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole

C10H8BrClN2O — CID 82134882

IUPAC2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole
SMILESCOc1ccc(Cl)cc1-n1ccnc1Br
InChIInChI=1S/C10H8BrClN2O/c1-15-9-3-2-7(12)6-8(9)14-5-4-13-10(14)11/h2-6H,1H3
InChIKeyCKGVKQGEMWZNEB-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.30
Rot. Bonds2

About 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole

2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole (PubChem CID 82134882) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole.

Molecular Properties

Compound Name2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole
PubChem CID82134882
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole
SMILESCOc1ccc(Cl)cc1-n1ccnc1Br
InChIInChI=1S/C10H8BrClN2O/c1-15-9-3-2-7(12)6-8(9)14-5-4-13-10(14)11/h2-6H,1H3
InChIKeyCKGVKQGEMWZNEB-UHFFFAOYSA-N
XLogP3.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole?
The IUPAC name of 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole (CID 82134882) is 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole.
What is the SMILES notation for 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole?
The canonical SMILES for 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole is COc1ccc(Cl)cc1-n1ccnc1Br.
What is the InChIKey of 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole?
The InChIKey is CKGVKQGEMWZNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c1-15-9-3-2-7(12)6-8(9)14-5-4-13-10(14)11/h2-6H,1H3.
What are the key properties of 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole?
2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole has a molecular weight of 287.54 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole is sourced from PubChem (CID 82134882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).