2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol

C8H15N3O2 — CID 119041987

IUPAC2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol
SMILESOCCN(CCO)Cc1cnc[nH]1
InChIInChI=1S/C8H15N3O2/c12-3-1-11(2-4-13)6-8-5-9-7-10-8/h5,7,12-13H,1-4,6H2,(H,9,10)
InChIKeySULXHVKAPULXFI-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.80
Rot. Bonds6

About 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol

2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol (PubChem CID 119041987) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol
PubChem CID119041987
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol
SMILESOCCN(CCO)Cc1cnc[nH]1
InChIInChI=1S/C8H15N3O2/c12-3-1-11(2-4-13)6-8-5-9-7-10-8/h5,7,12-13H,1-4,6H2,(H,9,10)
InChIKeySULXHVKAPULXFI-UHFFFAOYSA-N
XLogP-0.80
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)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

Related Compounds

4-Imidazolemethanol
CID 1745
Imidazol-4-ylmethanol hydrochloride
CID 122926
(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588
(1H-Imidazol-4-yl)methanamine hydrochloride
CID 45791344
(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
2-(4-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 68798957
2-(1H-imidazol-5-ylmethyl)guanidine
CID 44331454
(3R,4R)-4-(hydroxymethyl)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol
CID 162652841
1-[(1H-Imidazol-4-yl)methyl]piperazine
CID 9793928
5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole
CID 9834003
N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride
CID 21144688

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol (CID 119041987) is 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol is OCCN(CCO)Cc1cnc[nH]1.
What is the InChIKey of 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol?
The InChIKey is SULXHVKAPULXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c12-3-1-11(2-4-13)6-8-5-9-7-10-8/h5,7,12-13H,1-4,6H2,(H,9,10).
What are the key properties of 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol?
2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol has a molecular weight of 185.23 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol is sourced from PubChem (CID 119041987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).