1-(5-chloro-1-methylimidazol-2-yl)ethanol

C6H9ClN2O — CID 3144501

IUPAC1-(5-chloro-1-methylimidazol-2-yl)ethanol
SMILESCC(O)c1ncc(Cl)n1C
InChIInChI=1S/C6H9ClN2O/c1-4(10)6-8-3-5(7)9(6)2/h3-4,10H,1-2H3
InChIKeyOFMIUVSTOAUGPU-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.13
Rot. Bonds1

About 1-(5-chloro-1-methylimidazol-2-yl)ethanol

1-(5-chloro-1-methylimidazol-2-yl)ethanol (PubChem CID 3144501) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-2-yl)ethanol
PubChem CID3144501
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name1-(5-chloro-1-methylimidazol-2-yl)ethanol
SMILESCC(O)c1ncc(Cl)n1C
InChIInChI=1S/C6H9ClN2O/c1-4(10)6-8-3-5(7)9(6)2/h3-4,10H,1-2H3
InChIKeyOFMIUVSTOAUGPU-UHFFFAOYSA-N
XLogP1.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)ethanol (CID 3144501) is 1-(5-chloro-1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-2-yl)ethanol is CC(O)c1ncc(Cl)n1C.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-2-yl)ethanol?
The InChIKey is OFMIUVSTOAUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c1-4(10)6-8-3-5(7)9(6)2/h3-4,10H,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-2-yl)ethanol?
1-(5-chloro-1-methylimidazol-2-yl)ethanol has a molecular weight of 160.60 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 3144501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).