2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol

C11H21N3O2 — CID 45095644

IUPAC2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCCc1nc(CN(CCO)CCO)c(C)[nH]1
InChIInChI=1S/C11H21N3O2/c1-3-11-12-9(2)10(13-11)8-14(4-6-15)5-7-16/h15-16H,3-8H2,1-2H3,(H,12,13)
InChIKeySWENYXSDUJRMIC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.07
Rot. Bonds7

About 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 45095644) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID45095644
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCCc1nc(CN(CCO)CCO)c(C)[nH]1
InChIInChI=1S/C11H21N3O2/c1-3-11-12-9(2)10(13-11)8-14(4-6-15)5-7-16/h15-16H,3-8H2,1-2H3,(H,12,13)
InChIKeySWENYXSDUJRMIC-UHFFFAOYSA-N
XLogP0.07
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol 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 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 45095644) is 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol is CCc1nc(CN(CCO)CCO)c(C)[nH]1.
What is the InChIKey of 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is SWENYXSDUJRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-11-12-9(2)10(13-11)8-14(4-6-15)5-7-16/h15-16H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 227.31 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 45095644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).