1-[4-(3-bromophenoxy)butyl]imidazole

C13H15BrN2O — CID 44586265

IUPAC1-[4-(3-bromophenoxy)butyl]imidazole
SMILESBrc1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C13H15BrN2O/c14-12-4-3-5-13(10-12)17-9-2-1-7-16-8-6-15-11-16/h3-6,8,10-11H,1-2,7,9H2
InChIKeyQWYZAVYFCGPMDM-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.50
Rot. Bonds6

About 1-[4-(3-bromophenoxy)butyl]imidazole

1-[4-(3-bromophenoxy)butyl]imidazole (PubChem CID 44586265) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[4-(3-bromophenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-bromophenoxy)butyl]imidazole
PubChem CID44586265
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[4-(3-bromophenoxy)butyl]imidazole
SMILESBrc1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C13H15BrN2O/c14-12-4-3-5-13(10-12)17-9-2-1-7-16-8-6-15-11-16/h3-6,8,10-11H,1-2,7,9H2
InChIKeyQWYZAVYFCGPMDM-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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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-(4-bromophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol
CID 2953277
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
CID 24761416
1-[4-(4-Iodophenoxy)butyl]-1H-imidazole
CID 2843440
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-1H-imidazole
CID 803768
1-[2-(4-ethoxyphenoxy)ethyl]-1H-imidazole
CID 803901
1-[2-(3-bromophenoxy)ethyl]-1H-imidazole oxalate
CID 2922672
1-[3-(4-bromo-2-chlorophenoxy)propyl]-1H-imidazole
CID 2922808

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(3-bromophenoxy)butyl]imidazole (CID 44586265) is 1-[4-(3-bromophenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(3-bromophenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(3-bromophenoxy)butyl]imidazole is Brc1cccc(OCCCCn2ccnc2)c1.
What is the InChIKey of 1-[4-(3-bromophenoxy)butyl]imidazole?
The InChIKey is QWYZAVYFCGPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-12-4-3-5-13(10-12)17-9-2-1-7-16-8-6-15-11-16/h3-6,8,10-11H,1-2,7,9H2.
What are the key properties of 1-[4-(3-bromophenoxy)butyl]imidazole?
1-[4-(3-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-(3-bromophenoxy)butyl]imidazole is sourced from PubChem (CID 44586265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).