1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole

C10H18N2O2 — CID 175452147

IUPAC1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole
SMILESC=CN1C=CN(CCOCCOC)C1
InChIInChI=1S/C10H18N2O2/c1-3-11-4-5-12(10-11)6-7-14-9-8-13-2/h3-5H,1,6-10H2,2H3
InChIKeyJJWVRJWPNCOVLB-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.84
Rot. Bonds7

About 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole

1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole (PubChem CID 175452147) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole
PubChem CID175452147
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole
SMILESC=CN1C=CN(CCOCCOC)C1
InChIInChI=1S/C10H18N2O2/c1-3-11-4-5-12(10-11)6-7-14-9-8-13-2/h3-5H,1,6-10H2,2H3
InChIKeyJJWVRJWPNCOVLB-UHFFFAOYSA-N
XLogP0.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole 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 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole?
The IUPAC name of 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole (CID 175452147) is 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole is C=CN1C=CN(CCOCCOC)C1.
What is the InChIKey of 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole?
The InChIKey is JJWVRJWPNCOVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-11-4-5-12(10-11)6-7-14-9-8-13-2/h3-5H,1,6-10H2,2H3.
What are the key properties of 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole?
1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole has a molecular weight of 198.27 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole is sourced from PubChem (CID 175452147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).