1-(1-chloro-2-methylimidazol-4-yl)ethanol

C6H9ClN2O — CID 139592948

IUPAC1-(1-chloro-2-methylimidazol-4-yl)ethanol
SMILESCc1nc(C(C)O)cn1Cl
InChIInChI=1S/C6H9ClN2O/c1-4(10)6-3-9(7)5(2)8-6/h3-4,10H,1-2H3
InChIKeyVUAOHLMFAOSHBK-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.25
Rot. Bonds1

About 1-(1-chloro-2-methylimidazol-4-yl)ethanol

1-(1-chloro-2-methylimidazol-4-yl)ethanol (PubChem CID 139592948) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 1-(1-chloro-2-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-chloro-2-methylimidazol-4-yl)ethanol
PubChem CID139592948
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name1-(1-chloro-2-methylimidazol-4-yl)ethanol
SMILESCc1nc(C(C)O)cn1Cl
InChIInChI=1S/C6H9ClN2O/c1-4(10)6-3-9(7)5(2)8-6/h3-4,10H,1-2H3
InChIKeyVUAOHLMFAOSHBK-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylimidazol-4-yl)ethanol?
The IUPAC name of 1-(1-chloro-2-methylimidazol-4-yl)ethanol (CID 139592948) is 1-(1-chloro-2-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-chloro-2-methylimidazol-4-yl)ethanol?
The canonical SMILES for 1-(1-chloro-2-methylimidazol-4-yl)ethanol is Cc1nc(C(C)O)cn1Cl.
What is the InChIKey of 1-(1-chloro-2-methylimidazol-4-yl)ethanol?
The InChIKey is VUAOHLMFAOSHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c1-4(10)6-3-9(7)5(2)8-6/h3-4,10H,1-2H3.
What are the key properties of 1-(1-chloro-2-methylimidazol-4-yl)ethanol?
1-(1-chloro-2-methylimidazol-4-yl)ethanol has a molecular weight of 160.60 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 139592948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).