1-[4-(2-bromophenoxy)butyl]imidazole

C13H15BrN2O — CID 2843697

IUPAC1-[4-(2-bromophenoxy)butyl]imidazole
SMILESBrc1ccccc1OCCCCn1ccnc1
InChIInChI=1S/C13H15BrN2O/c14-12-5-1-2-6-13(12)17-10-4-3-8-16-9-7-15-11-16/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyITQSGIJZBMXRMD-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.50
Rot. Bonds6

About 1-[4-(2-bromophenoxy)butyl]imidazole

1-[4-(2-bromophenoxy)butyl]imidazole (PubChem CID 2843697) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[4-(2-bromophenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2-bromophenoxy)butyl]imidazole
PubChem CID2843697
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[4-(2-bromophenoxy)butyl]imidazole
SMILESBrc1ccccc1OCCCCn1ccnc1
InChIInChI=1S/C13H15BrN2O/c14-12-5-1-2-6-13(12)17-10-4-3-8-16-9-7-15-11-16/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyITQSGIJZBMXRMD-UHFFFAOYSA-N
XLogP3.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(2-bromophenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(2-bromophenoxy)butyl]imidazole (CID 2843697) is 1-[4-(2-bromophenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(2-bromophenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(2-bromophenoxy)butyl]imidazole is Brc1ccccc1OCCCCn1ccnc1.
What is the InChIKey of 1-[4-(2-bromophenoxy)butyl]imidazole?
The InChIKey is ITQSGIJZBMXRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-12-5-1-2-6-13(12)17-10-4-3-8-16-9-7-15-11-16/h1-2,5-7,9,11H,3-4,8,10H2.
What are the key properties of 1-[4-(2-bromophenoxy)butyl]imidazole?
1-[4-(2-bromophenoxy)butyl]imidazole has a molecular weight of 295.18 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenoxy)butyl]imidazole is sourced from PubChem (CID 2843697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).