3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one

C11H20N2O2 — CID 54382658

IUPAC3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one
SMILESCCCCC(CC)Cn1c(O)c[nH]c1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-6-9(4-2)8-13-10(14)7-12-11(13)15/h7,9,14H,3-6,8H2,1-2H3,(H,12,15)
InChIKeyVBAHWNJNXBXNHS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.10
Rot. Bonds6

About 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one

3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one (PubChem CID 54382658) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one
PubChem CID54382658
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one
SMILESCCCCC(CC)Cn1c(O)c[nH]c1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-6-9(4-2)8-13-10(14)7-12-11(13)15/h7,9,14H,3-6,8H2,1-2H3,(H,12,15)
InChIKeyVBAHWNJNXBXNHS-UHFFFAOYSA-N
XLogP2.10
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one (CID 54382658) is 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one is CCCCC(CC)Cn1c(O)c[nH]c1=O.
What is the InChIKey of 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one?
The InChIKey is VBAHWNJNXBXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-6-9(4-2)8-13-10(14)7-12-11(13)15/h7,9,14H,3-6,8H2,1-2H3,(H,12,15).
What are the key properties of 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one?
3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 54382658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).