1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol

C12H13BrN2O2 — CID 2953277

IUPAC1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(Br)cc1)Cn1ccnc1
InChIInChI=1S/C12H13BrN2O2/c13-10-1-3-12(4-2-10)17-8-11(16)7-15-6-5-14-9-15/h1-6,9,11,16H,7-8H2
InChIKeyLVHVUOLSNKPIIQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.09
Rot. Bonds5

About 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol

1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol (PubChem CID 2953277) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol
PubChem CID2953277
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(Br)cc1)Cn1ccnc1
InChIInChI=1S/C12H13BrN2O2/c13-10-1-3-12(4-2-10)17-8-11(16)7-15-6-5-14-9-15/h1-6,9,11,16H,7-8H2
InChIKeyLVHVUOLSNKPIIQ-UHFFFAOYSA-N
XLogP2.09
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-[2-(3-bromophenoxy)ethyl]-1H-imidazole oxalate
CID 2922672
1-[3-(4-bromo-2-chlorophenoxy)propyl]-1H-imidazole
CID 2922808
1-[2-[2-(2-Bromo-4-methylphenoxy)ethoxy]ethyl]imidazole
CID 2923447
1-{2-[2-(3-bromophenoxy)ethoxy]ethyl}-1H-imidazole oxalate
CID 2923628
1-{2-[2-(4-ethoxyphenoxy)ethoxy]ethyl}-1H-imidazole
CID 2924394
1-(3,5-dimethoxyphenoxy)-3-(1H-imidazol-1-yl)-2-propanol
CID 2963341
1-[5-(3-Bromophenoxy)pentyl]imidazole
CID 118733120

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol (CID 2953277) is 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol is OC(COc1ccc(Br)cc1)Cn1ccnc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is LVHVUOLSNKPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-10-1-3-12(4-2-10)17-8-11(16)7-15-6-5-14-9-15/h1-6,9,11,16H,7-8H2.
What are the key properties of 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol?
1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 297.15 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 2953277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).