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

C13H14BrClN2O2 — CID 2923472

IUPAC1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole
SMILESClc1cc(Br)ccc1OCCOCCn1ccnc1
InChIInChI=1S/C13H14BrClN2O2/c14-11-1-2-13(12(15)9-11)19-8-7-18-6-5-17-4-3-16-10-17/h1-4,9-10H,5-8H2
InChIKeyYUPAYDQZGHCFDH-UHFFFAOYSA-N
MW345.62 g/mol
LogP3.39
Rot. Bonds7

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

1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole (PubChem CID 2923472) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole
PubChem CID2923472
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole
SMILESClc1cc(Br)ccc1OCCOCCn1ccnc1
InChIInChI=1S/C13H14BrClN2O2/c14-11-1-2-13(12(15)9-11)19-8-7-18-6-5-17-4-3-16-10-17/h1-4,9-10H,5-8H2
InChIKeyYUPAYDQZGHCFDH-UHFFFAOYSA-N
XLogP3.39
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole (CID 2923472) is 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole is Clc1cc(Br)ccc1OCCOCCn1ccnc1.
What is the InChIKey of 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole?
The InChIKey is YUPAYDQZGHCFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c14-11-1-2-13(12(15)9-11)19-8-7-18-6-5-17-4-3-16-10-17/h1-4,9-10H,5-8H2.
What are the key properties of 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole?
1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole has a molecular weight of 345.62 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]imidazole is sourced from PubChem (CID 2923472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).