1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole

C12H13BrN2O — CID 803542

IUPAC1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole
SMILESCc1cc(Br)ccc1OCCn1ccnc1
InChIInChI=1S/C12H13BrN2O/c1-10-8-11(13)2-3-12(10)16-7-6-15-5-4-14-9-15/h2-5,8-9H,6-7H2,1H3
InChIKeyVUGTUWRWZGWYEY-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.03
Rot. Bonds4

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

1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole (PubChem CID 803542) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole
PubChem CID803542
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole
SMILESCc1cc(Br)ccc1OCCn1ccnc1
InChIInChI=1S/C12H13BrN2O/c1-10-8-11(13)2-3-12(10)16-7-6-15-5-4-14-9-15/h2-5,8-9H,6-7H2,1H3
InChIKeyVUGTUWRWZGWYEY-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-(4-bromophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol
CID 2953277
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561
1-[3-(2,6-dimethylphenoxy)propyl]-1H-imidazole
CID 2843475
1-[3-(mesityloxy)propyl]-1H-imidazole
CID 3847057
1-[2-(4-Benzylphenoxy)ethyl]-1H-imidazole
CID 2994178
1-[2-(3-methylphenoxy)ethyl]-1H-imidazole
CID 868364
1-[2-(3,5-dimethylphenoxy)ethyl]-1H-imidazole
CID 868468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole (CID 803542) is 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole is Cc1cc(Br)ccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole?
The InChIKey is VUGTUWRWZGWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-10-8-11(13)2-3-12(10)16-7-6-15-5-4-14-9-15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole?
1-[2-(4-bromo-2-methylphenoxy)ethyl]imidazole has a molecular weight of 281.15 g/mol, XLogP of 3.03, 4 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-methylphenoxy)ethyl]imidazole is sourced from PubChem (CID 803542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).