5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole

C12H12BrClN2O — CID 70544848

IUPAC5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CCOc2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C12H12BrClN2O/c1-8-15-7-10(16-8)4-5-17-12-3-2-9(13)6-11(12)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyNTKDMTMAUBZVQG-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.76
Rot. Bonds4

About 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole

5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole (PubChem CID 70544848) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole
PubChem CID70544848
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CCOc2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C12H12BrClN2O/c1-8-15-7-10(16-8)4-5-17-12-3-2-9(13)6-11(12)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyNTKDMTMAUBZVQG-UHFFFAOYSA-N
XLogP3.76
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propoxyaniline
CID 55114654
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
5-(2-methoxyethyl)-2-methyl-1H-imidazole
CID 55301365
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
2-(4-bromo-2-chlorophenoxy)ethyl-tert-butylazanium
CID 2299633
4-(4-bromo-2-chlorophenoxy)butanenitrile
CID 43082909
3-(4-bromo-2-chlorophenoxy)propyl-butylazanium
CID 2297484
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255968
5-(2-chloroethyl)-2-methyl-1H-imidazole
CID 57210702
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole
CID 70584961

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole (CID 70544848) is 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole is Cc1ncc(CCOc2ccc(Br)cc2Cl)[nH]1.
What is the InChIKey of 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole?
The InChIKey is NTKDMTMAUBZVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-8-15-7-10(16-8)4-5-17-12-3-2-9(13)6-11(12)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole?
5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole has a molecular weight of 315.60 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 70544848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).