3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol

C12H23N3O2 — CID 114266034

IUPAC3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol
SMILESCCNC(C)c1cn(CC(O)CO)c(CC)n1
InChIInChI=1S/C12H23N3O2/c1-4-12-14-11(9(3)13-5-2)7-15(12)6-10(17)8-16/h7,9-10,13,16-17H,4-6,8H2,1-3H3
InChIKeyAQLVIJPPYLLGPX-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.47
Rot. Bonds7

About 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol

3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol (PubChem CID 114266034) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol
PubChem CID114266034
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol
SMILESCCNC(C)c1cn(CC(O)CO)c(CC)n1
InChIInChI=1S/C12H23N3O2/c1-4-12-14-11(9(3)13-5-2)7-15(12)6-10(17)8-16/h7,9-10,13,16-17H,4-6,8H2,1-3H3
InChIKeyAQLVIJPPYLLGPX-UHFFFAOYSA-N
XLogP0.47
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol 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 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol (CID 114266034) is 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol is CCNC(C)c1cn(CC(O)CO)c(CC)n1.
What is the InChIKey of 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol?
The InChIKey is AQLVIJPPYLLGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-12-14-11(9(3)13-5-2)7-15(12)6-10(17)8-16/h7,9-10,13,16-17H,4-6,8H2,1-3H3.
What are the key properties of 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol?
3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol has a molecular weight of 241.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 114266034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).