1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol

C12H13BrN2O — CID 21415362

IUPAC1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol
SMILESOC(CCn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O/c13-11-3-1-10(2-4-11)12(16)5-7-15-8-6-14-9-15/h1-4,6,8-9,12,16H,5,7H2
InChIKeyPIJOWNYIEJSLJS-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol

1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol (PubChem CID 21415362) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol
PubChem CID21415362
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol
SMILESOC(CCn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O/c13-11-3-1-10(2-4-11)12(16)5-7-15-8-6-14-9-15/h1-4,6,8-9,12,16H,5,7H2
InChIKeyPIJOWNYIEJSLJS-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
{4-[(1H-Imidazol-1-yl)methyl]phenyl}methanol
CID 15594569
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
1-(2-Hydroxy-4-phenylbutyl)imidazole
CID 13457355
1-[(4-bromobenzyl)oxy]-1H-imidazole
CID 1491058
4-(4-Bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride
CID 25143493
1-(4-Bromophenyl)-2-(1-methyl-5-nitroimidazol-2-yl)ethane-1,2-diol
CID 44186540
1-(3-bromophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
CID 53525629
1-[4-(4-Bromophenyl)phenyl]-2-imidazol-1-ylethanol
CID 58580498
6-[(4-Bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 44522283
Denzimol, (S)-
CID 76965185

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol (CID 21415362) is 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol is OC(CCn1ccnc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol?
The InChIKey is PIJOWNYIEJSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-11-3-1-10(2-4-11)12(16)5-7-15-8-6-14-9-15/h1-4,6,8-9,12,16H,5,7H2.
What are the key properties of 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol?
1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol has a molecular weight of 281.15 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-imidazol-1-ylpropan-1-ol is sourced from PubChem (CID 21415362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).