1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol

C12H22N2O2 — CID 107264021

IUPAC1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCCCOCC(O)Cn1ccnc1CC
InChIInChI=1S/C12H22N2O2/c1-3-5-8-16-10-11(15)9-14-7-6-13-12(14)4-2/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyXTQGDSQAAQBGEF-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.62
Rot. Bonds8

About 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol

1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol (PubChem CID 107264021) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol
PubChem CID107264021
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCCCOCC(O)Cn1ccnc1CC
InChIInChI=1S/C12H22N2O2/c1-3-5-8-16-10-11(15)9-14-7-6-13-12(14)4-2/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyXTQGDSQAAQBGEF-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol 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-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol (CID 107264021) is 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol is CCCCOCC(O)Cn1ccnc1CC.
What is the InChIKey of 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol?
The InChIKey is XTQGDSQAAQBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-5-8-16-10-11(15)9-14-7-6-13-12(14)4-2/h6-7,11,15H,3-5,8-10H2,1-2H3.
What are the key properties of 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol?
1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(2-ethylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 107264021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).