2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol

C8H14N2O2 — CID 90045312

IUPAC2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
SMILESCn1ccnc1CCOCCO
InChIInChI=1S/C8H14N2O2/c1-10-4-3-9-8(10)2-6-12-7-5-11/h3-4,11H,2,5-7H2,1H3
InChIKeyIEQGPDRUMXDRIZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.03
Rot. Bonds5

About 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol

2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol (PubChem CID 90045312) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
PubChem CID90045312
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
SMILESCn1ccnc1CCOCCO
InChIInChI=1S/C8H14N2O2/c1-10-4-3-9-8(10)2-6-12-7-5-11/h3-4,11H,2,5-7H2,1H3
InChIKeyIEQGPDRUMXDRIZ-UHFFFAOYSA-N
XLogP-0.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.03
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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Related Compounds

2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
CID 90239240
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 102927322
1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
CID 114796078
azane;1-methyl-2-propylimidazole
CID 174525892
N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748
2-[2-[2-(ethylaminomethyl)imidazol-1-yl]ethoxy]ethanol
CID 62221793
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
CID 114528585
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol (CID 90045312) is 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol is Cn1ccnc1CCOCCO.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol?
The InChIKey is IEQGPDRUMXDRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-10-4-3-9-8(10)2-6-12-7-5-11/h3-4,11H,2,5-7H2,1H3.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol?
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol has a molecular weight of 170.21 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol is sourced from PubChem (CID 90045312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).