1-ethyl-3-(3-methoxypropyl)-2H-imidazole

C9H18N2O — CID 175382331

IUPAC1-ethyl-3-(3-methoxypropyl)-2H-imidazole
SMILESCCN1C=CN(CCCOC)C1
InChIInChI=1S/C9H18N2O/c1-3-10-6-7-11(9-10)5-4-8-12-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyQTUGSKPMFNCMRY-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.09
Rot. Bonds5

About 1-ethyl-3-(3-methoxypropyl)-2H-imidazole

1-ethyl-3-(3-methoxypropyl)-2H-imidazole (PubChem CID 175382331) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxypropyl)-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxypropyl)-2H-imidazole
PubChem CID175382331
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-ethyl-3-(3-methoxypropyl)-2H-imidazole
SMILESCCN1C=CN(CCCOC)C1
InChIInChI=1S/C9H18N2O/c1-3-10-6-7-11(9-10)5-4-8-12-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyQTUGSKPMFNCMRY-UHFFFAOYSA-N
XLogP1.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(3-methoxypropyl)-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-ethyl-3-(3-methoxypropyl)-2H-imidazole?
The IUPAC name of 1-ethyl-3-(3-methoxypropyl)-2H-imidazole (CID 175382331) is 1-ethyl-3-(3-methoxypropyl)-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-(3-methoxypropyl)-2H-imidazole?
The canonical SMILES for 1-ethyl-3-(3-methoxypropyl)-2H-imidazole is CCN1C=CN(CCCOC)C1.
What is the InChIKey of 1-ethyl-3-(3-methoxypropyl)-2H-imidazole?
The InChIKey is QTUGSKPMFNCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-10-6-7-11(9-10)5-4-8-12-2/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methoxypropyl)-2H-imidazole?
1-ethyl-3-(3-methoxypropyl)-2H-imidazole has a molecular weight of 170.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxypropyl)-2H-imidazole is sourced from PubChem (CID 175382331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).