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

C8H13ClN2O — CID 155065949

IUPAC2-(5-chloro-2-propylimidazol-1-yl)ethanol
SMILESCCCc1ncc(Cl)n1CCO
InChIInChI=1S/C8H13ClN2O/c1-2-3-8-10-6-7(9)11(8)4-5-12/h6,12H,2-5H2,1H3
InChIKeyWXKXMMBLSQWZDG-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.48
Rot. Bonds4

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

2-(5-chloro-2-propylimidazol-1-yl)ethanol (PubChem CID 155065949) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 2-(5-chloro-2-propylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-propylimidazol-1-yl)ethanol
PubChem CID155065949
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name2-(5-chloro-2-propylimidazol-1-yl)ethanol
SMILESCCCc1ncc(Cl)n1CCO
InChIInChI=1S/C8H13ClN2O/c1-2-3-8-10-6-7(9)11(8)4-5-12/h6,12H,2-5H2,1H3
InChIKeyWXKXMMBLSQWZDG-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-methyl-1H-imidazole-1-ethanol
CID 109233
2-Methyl-1H-imidazole-1-ethanol
CID 74169
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
1-(2-Hydroxyethyl)-3-methylimidazolium chloride
CID 11499271
(5-chloro-1-methyl-1H-imidazol-2-yl)methanol
CID 14638329
2-(1-Methyl-1H-imidazol-2-yl)ethanol
CID 565964
5-chloro-2-(1-hydroxyethyl)-1,3-dimethyl-1H-imidazol-3-ium iodide
CID 6602768
1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
CID 11542800
1-(5-chloro-1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 3144501
1-Butyl-2-hydroxymethylimidazole
CID 579275
Imidazole, 5-chloro-1-isobutyl-2-isopropyl-
CID 203221

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propylimidazol-1-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-propylimidazol-1-yl)ethanol (CID 155065949) is 2-(5-chloro-2-propylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-propylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-propylimidazol-1-yl)ethanol is CCCc1ncc(Cl)n1CCO.
What is the InChIKey of 2-(5-chloro-2-propylimidazol-1-yl)ethanol?
The InChIKey is WXKXMMBLSQWZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-2-3-8-10-6-7(9)11(8)4-5-12/h6,12H,2-5H2,1H3.
What are the key properties of 2-(5-chloro-2-propylimidazol-1-yl)ethanol?
2-(5-chloro-2-propylimidazol-1-yl)ethanol has a molecular weight of 188.66 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propylimidazol-1-yl)ethanol is sourced from PubChem (CID 155065949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).