1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole

C14H17BrN2O — CID 2996043

IUPAC1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
SMILESCC(C)c1cc(Br)ccc1OCCn1ccnc1
InChIInChI=1S/C14H17BrN2O/c1-11(2)13-9-12(15)3-4-14(13)18-8-7-17-6-5-16-10-17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyXPEMWVLXBPQEDD-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.85
Rot. Bonds5

About 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole

1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole (PubChem CID 2996043) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
PubChem CID2996043
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
SMILESCC(C)c1cc(Br)ccc1OCCn1ccnc1
InChIInChI=1S/C14H17BrN2O/c1-11(2)13-9-12(15)3-4-14(13)18-8-7-17-6-5-16-10-17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyXPEMWVLXBPQEDD-UHFFFAOYSA-N
XLogP3.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 102948559
N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883681
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
CID 2994821
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonyl chloride
CID 82909606
4-bromo-N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]aniline
CID 115402812
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1300284
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonamide
CID 82914402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole (CID 2996043) is 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole is CC(C)c1cc(Br)ccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole?
The InChIKey is XPEMWVLXBPQEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-11(2)13-9-12(15)3-4-14(13)18-8-7-17-6-5-16-10-17/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole?
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole has a molecular weight of 309.21 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole is sourced from PubChem (CID 2996043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).