2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol

C8H16N2O2 — CID 57350016

IUPAC2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol
SMILESCN1C=CN(CCOCCO)C1
InChIInChI=1S/C8H16N2O2/c1-9-2-3-10(8-9)4-6-12-7-5-11/h2-3,11H,4-8H2,1H3
InChIKeyWIKRTEVNGKLXOU-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.33
Rot. Bonds5

About 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol

2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol (PubChem CID 57350016) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol
PubChem CID57350016
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol
SMILESCN1C=CN(CCOCCO)C1
InChIInChI=1S/C8H16N2O2/c1-9-2-3-10(8-9)4-6-12-7-5-11/h2-3,11H,4-8H2,1H3
InChIKeyWIKRTEVNGKLXOU-UHFFFAOYSA-N
XLogP-0.33
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol (CID 57350016) is 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol is CN1C=CN(CCOCCO)C1.
What is the InChIKey of 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol?
The InChIKey is WIKRTEVNGKLXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-2-3-10(8-9)4-6-12-7-5-11/h2-3,11H,4-8H2,1H3.
What are the key properties of 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol?
2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol has a molecular weight of 172.23 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 57350016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).