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

C12H13BrCl2N2O — CID 2994888

IUPAC1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride
SMILESCc1cc(Cl)cc(Br)c1OCCn1ccnc1.Cl
InChIInChI=1S/C12H12BrClN2O.ClH/c1-9-6-10(14)7-11(13)12(9)17-5-4-16-3-2-15-8-16;/h2-3,6-8H,4-5H2,1H3;1H
InChIKeySMSGVHZZOXJXIW-UHFFFAOYSA-N
MW352.06 g/mol
LogP4.11
Rot. Bonds4

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

1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride (PubChem CID 2994888) has the molecular formula C12H13BrCl2N2O and a molecular weight of 352.06 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride
PubChem CID2994888
Molecular FormulaC12H13BrCl2N2O
Molecular Weight352.06 g/mol
Exact Mass349.96
IUPAC Name1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride
SMILESCc1cc(Cl)cc(Br)c1OCCn1ccnc1.Cl
InChIInChI=1S/C12H12BrClN2O.ClH/c1-9-6-10(14)7-11(13)12(9)17-5-4-16-3-2-15-8-16;/h2-3,6-8H,4-5H2,1H3;1H
InChIKeySMSGVHZZOXJXIW-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.06
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride (CID 2994888) is 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride is Cc1cc(Cl)cc(Br)c1OCCn1ccnc1.Cl.
What is the InChIKey of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride?
The InChIKey is SMSGVHZZOXJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O.ClH/c1-9-6-10(14)7-11(13)12(9)17-5-4-16-3-2-15-8-16;/h2-3,6-8H,4-5H2,1H3;1H.
What are the key properties of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride?
1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride has a molecular weight of 352.06 g/mol, XLogP of 4.11, 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-4-chloro-6-methylphenoxy)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 2994888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).