1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol

C12H13BrN2O — CID 110885644

IUPAC1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol
SMILESCc1nccn1CC(O)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O/c1-9-14-5-6-15(9)8-12(16)10-3-2-4-11(13)7-10/h2-7,12,16H,8H2,1H3
InChIKeyPKJSZLMUORLYAN-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol

1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol (PubChem CID 110885644) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol
PubChem CID110885644
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol
SMILESCc1nccn1CC(O)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O/c1-9-14-5-6-15(9)8-12(16)10-3-2-4-11(13)7-10/h2-7,12,16H,8H2,1H3
InChIKeyPKJSZLMUORLYAN-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol
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1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol (CID 110885644) is 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol is Cc1nccn1CC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol?
The InChIKey is PKJSZLMUORLYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-9-14-5-6-15(9)8-12(16)10-3-2-4-11(13)7-10/h2-7,12,16H,8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol?
1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol has a molecular weight of 281.15 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol is sourced from PubChem (CID 110885644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).