ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole

C13H28N2O2 — CID 163393370

IUPACethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
SMILESCC.CC.COCCOCCn1cnc(C)c1
InChIInChI=1S/C9H16N2O2.2C2H6/c1-9-7-11(8-10-9)3-4-13-6-5-12-2;2*1-2/h7-8H,3-6H2,1-2H3;2*1-2H3
InChIKeyAXKIATHJZKHQTC-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.91
Rot. Bonds6

About ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole

ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole (PubChem CID 163393370) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole.

Molecular Properties

Compound Nameethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
PubChem CID163393370
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
SMILESCC.CC.COCCOCCn1cnc(C)c1
InChIInChI=1S/C9H16N2O2.2C2H6/c1-9-7-11(8-10-9)3-4-13-6-5-12-2;2*1-2/h7-8H,3-6H2,1-2H3;2*1-2H3
InChIKeyAXKIATHJZKHQTC-UHFFFAOYSA-N
XLogP2.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
The IUPAC name of ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole (CID 163393370) is ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole.
What is the SMILES notation for ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
The canonical SMILES for ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole is CC.CC.COCCOCCn1cnc(C)c1.
What is the InChIKey of ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
The InChIKey is AXKIATHJZKHQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.2C2H6/c1-9-7-11(8-10-9)3-4-13-6-5-12-2;2*1-2/h7-8H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole?
ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole has a molecular weight of 244.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole is sourced from PubChem (CID 163393370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).