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

C14H17BrN2O2 — CID 2923447

IUPAC1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole
SMILESCc1ccc(OCCOCCn2ccnc2)c(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-12-2-3-14(13(15)10-12)19-9-8-18-7-6-17-5-4-16-11-17/h2-5,10-11H,6-9H2,1H3
InChIKeyKVIGECCKMZMBIP-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.05
Rot. Bonds7

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

1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole (PubChem CID 2923447) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole
PubChem CID2923447
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole
SMILESCc1ccc(OCCOCCn2ccnc2)c(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-12-2-3-14(13(15)10-12)19-9-8-18-7-6-17-5-4-16-11-17/h2-5,10-11H,6-9H2,1H3
InChIKeyKVIGECCKMZMBIP-UHFFFAOYSA-N
XLogP3.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.05
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-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole (CID 2923447) is 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole is Cc1ccc(OCCOCCn2ccnc2)c(Br)c1.
What is the InChIKey of 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole?
The InChIKey is KVIGECCKMZMBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-12-2-3-14(13(15)10-12)19-9-8-18-7-6-17-5-4-16-11-17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole?
1-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]imidazole has a molecular weight of 325.21 g/mol, XLogP of 3.05, 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-4-methylphenoxy)ethoxy]ethyl]imidazole is sourced from PubChem (CID 2923447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).