1-[6-(3-bromophenoxy)hexyl]imidazole

C15H19BrN2O — CID 118733121

IUPAC1-[6-(3-bromophenoxy)hexyl]imidazole
SMILESBrc1cccc(OCCCCCCn2ccnc2)c1
InChIInChI=1S/C15H19BrN2O/c16-14-6-5-7-15(12-14)19-11-4-2-1-3-9-18-10-8-17-13-18/h5-8,10,12-13H,1-4,9,11H2
InChIKeyUUHIGWXJNMLEQX-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.28
Rot. Bonds8

About 1-[6-(3-bromophenoxy)hexyl]imidazole

1-[6-(3-bromophenoxy)hexyl]imidazole (PubChem CID 118733121) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-[6-(3-bromophenoxy)hexyl]imidazole.

Molecular Properties

Compound Name1-[6-(3-bromophenoxy)hexyl]imidazole
PubChem CID118733121
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-[6-(3-bromophenoxy)hexyl]imidazole
SMILESBrc1cccc(OCCCCCCn2ccnc2)c1
InChIInChI=1S/C15H19BrN2O/c16-14-6-5-7-15(12-14)19-11-4-2-1-3-9-18-10-8-17-13-18/h5-8,10,12-13H,1-4,9,11H2
InChIKeyUUHIGWXJNMLEQX-UHFFFAOYSA-N
XLogP4.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.28
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-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromophenoxy)hexyl]imidazole?
The IUPAC name of 1-[6-(3-bromophenoxy)hexyl]imidazole (CID 118733121) is 1-[6-(3-bromophenoxy)hexyl]imidazole.
What is the SMILES notation for 1-[6-(3-bromophenoxy)hexyl]imidazole?
The canonical SMILES for 1-[6-(3-bromophenoxy)hexyl]imidazole is Brc1cccc(OCCCCCCn2ccnc2)c1.
What is the InChIKey of 1-[6-(3-bromophenoxy)hexyl]imidazole?
The InChIKey is UUHIGWXJNMLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-14-6-5-7-15(12-14)19-11-4-2-1-3-9-18-10-8-17-13-18/h5-8,10,12-13H,1-4,9,11H2.
What are the key properties of 1-[6-(3-bromophenoxy)hexyl]imidazole?
1-[6-(3-bromophenoxy)hexyl]imidazole has a molecular weight of 323.23 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromophenoxy)hexyl]imidazole is sourced from PubChem (CID 118733121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).