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

C14H16BrClN2O2 — CID 2923251

IUPAC1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole
SMILESCc1cc(Cl)c(OCCOCCn2ccnc2)c(Br)c1
InChIInChI=1S/C14H16BrClN2O2/c1-11-8-12(15)14(13(16)9-11)20-7-6-19-5-4-18-3-2-17-10-18/h2-3,8-10H,4-7H2,1H3
InChIKeyVOXUAOHTBZHDBF-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.70
Rot. Bonds7

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

1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole (PubChem CID 2923251) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole
PubChem CID2923251
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole
SMILESCc1cc(Cl)c(OCCOCCn2ccnc2)c(Br)c1
InChIInChI=1S/C14H16BrClN2O2/c1-11-8-12(15)14(13(16)9-11)20-7-6-19-5-4-18-3-2-17-10-18/h2-3,8-10H,4-7H2,1H3
InChIKeyVOXUAOHTBZHDBF-UHFFFAOYSA-N
XLogP3.70
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]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

CID 803458
CID 803458
CID 803768
CID 803768
CID 2851545
CID 2851545
CID 2922660
CID 2922660
CID 2922808
CID 2922808
CID 2923447
CID 2923447
CID 2924288
CID 2924288
CID 803867
CID 803867
CID 759933
CID 759933
CID 762607
CID 762607
CID 2922381
CID 2922381
CID 2923472
CID 2923472

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole (CID 2923251) is 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole is Cc1cc(Cl)c(OCCOCCn2ccnc2)c(Br)c1.
What is the InChIKey of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole?
The InChIKey is VOXUAOHTBZHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-11-8-12(15)14(13(16)9-11)20-7-6-19-5-4-18-3-2-17-10-18/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole?
1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole has a molecular weight of 359.65 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]imidazole is sourced from PubChem (CID 2923251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).