1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole

C12H12BrClN2O — CID 803867

IUPAC1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole
SMILESCc1cc(Cl)c(OCCn2ccnc2)c(Br)c1
InChIInChI=1S/C12H12BrClN2O/c1-9-6-10(13)12(11(14)7-9)17-5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3
InChIKeyRWMDMPWWLFFVKE-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.69
Rot. Bonds4

About 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole

1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole (PubChem CID 803867) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole
PubChem CID803867
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole
SMILESCc1cc(Cl)c(OCCn2ccnc2)c(Br)c1
InChIInChI=1S/C12H12BrClN2O/c1-9-6-10(13)12(11(14)7-9)17-5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3
InChIKeyRWMDMPWWLFFVKE-UHFFFAOYSA-N
XLogP3.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromo-2-chlorophenoxy)ethyl]-1H-imidazole
CID 803458
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-1H-imidazole
CID 803768
1-[4-(2-chloro-4-methylphenoxy)butyl]-1H-imidazole
CID 2851545
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-1H-imidazole
CID 2922660
1-[3-(4-bromo-2-chlorophenoxy)propyl]-1H-imidazole
CID 2922808
1-[2-[2-(2-Bromo-4-methylphenoxy)ethoxy]ethyl]imidazole
CID 2923447
1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]-1H-imidazole oxalate
CID 2924288
1-[3-(2-bromo-4-methylphenoxy)propyl]-1H-imidazole
CID 2922618
1-[4-(2-chloro-6-methylphenoxy)butyl]-1H-imidazole
CID 2852738
1-[4-(4-Bromo-2-chloro-phenoxy)butyl]imidazole
CID 2923076
Cambridge id 7005775
CID 2922742
Cambridge id 7009928
CID 2923251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole (CID 803867) is 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole is Cc1cc(Cl)c(OCCn2ccnc2)c(Br)c1.
What is the InChIKey of 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole?
The InChIKey is RWMDMPWWLFFVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-9-6-10(13)12(11(14)7-9)17-5-4-16-3-2-15-8-16/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole?
1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole has a molecular weight of 315.60 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]imidazole is sourced from PubChem (CID 803867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).