1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one

C11H20N2O2 — CID 107705197

IUPAC1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one
SMILESCCn1ccn(CCCCCCO)c1=O
InChIInChI=1S/C11H20N2O2/c1-2-12-8-9-13(11(12)15)7-5-3-4-6-10-14/h8-9,14H,2-7,10H2,1H3
InChIKeySTRQWXJQEMZMNV-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.22
Rot. Bonds7

About 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one

1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one (PubChem CID 107705197) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one
PubChem CID107705197
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one
SMILESCCn1ccn(CCCCCCO)c1=O
InChIInChI=1S/C11H20N2O2/c1-2-12-8-9-13(11(12)15)7-5-3-4-6-10-14/h8-9,14H,2-7,10H2,1H3
InChIKeySTRQWXJQEMZMNV-UHFFFAOYSA-N
XLogP1.22
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one 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-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide
CID 80582721
1-(2-chloroethyl)-3-ethylimidazol-2-one
CID 80580275
1-ethyl-3-[2-(methylamino)ethyl]imidazol-2-one
CID 80580623
1-(5-hydroxypentyl)-3-methylpyrrole-2-carboxylic acid
CID 102604662
3-(5-hydroxypentyl)-1H-imidazol-2-one
CID 107319623
1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione
CID 67820183
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
5-(2-oxo-3-propylimidazol-1-yl)pentanethioamide
CID 80581042
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one
CID 116624225
1-(3-bromopropyl)-3-propylimidazol-2-one
CID 80580767
1-ethyl-3-(2-ethylsulfanylethyl)imidazol-2-one
CID 116624270

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one (CID 107705197) is 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one is CCn1ccn(CCCCCCO)c1=O.
What is the InChIKey of 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one?
The InChIKey is STRQWXJQEMZMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-12-8-9-13(11(12)15)7-5-3-4-6-10-14/h8-9,14H,2-7,10H2,1H3.
What are the key properties of 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one?
1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one is sourced from PubChem (CID 107705197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).