4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole

C12H13BrN2O2 — CID 117189904

IUPAC4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole
SMILESCCn1cc(Br)nc1Oc1ccc(OC)cc1
InChIInChI=1S/C12H13BrN2O2/c1-3-15-8-11(13)14-12(15)17-10-6-4-9(16-2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyWIFVQXIMCHTFLQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.47
Rot. Bonds4

About 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole

4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole (PubChem CID 117189904) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole
PubChem CID117189904
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole
SMILESCCn1cc(Br)nc1Oc1ccc(OC)cc1
InChIInChI=1S/C12H13BrN2O2/c1-3-15-8-11(13)14-12(15)17-10-6-4-9(16-2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyWIFVQXIMCHTFLQ-UHFFFAOYSA-N
XLogP3.47
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole?
The IUPAC name of 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole (CID 117189904) is 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole.
What is the SMILES notation for 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole?
The canonical SMILES for 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole is CCn1cc(Br)nc1Oc1ccc(OC)cc1.
What is the InChIKey of 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole?
The InChIKey is WIFVQXIMCHTFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-3-15-8-11(13)14-12(15)17-10-6-4-9(16-2)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole?
4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole has a molecular weight of 297.15 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole is sourced from PubChem (CID 117189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).