3,5-diethyl-4-hydroxy-1H-imidazol-2-one

C7H12N2O2 — CID 54554662

IUPAC3,5-diethyl-4-hydroxy-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(CC)c1O
InChIInChI=1S/C7H12N2O2/c1-3-5-6(10)9(4-2)7(11)8-5/h10H,3-4H2,1-2H3,(H,8,11)
InChIKeyZMIGBYGJVJIWOD-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.46
Rot. Bonds2

About 3,5-diethyl-4-hydroxy-1H-imidazol-2-one

3,5-diethyl-4-hydroxy-1H-imidazol-2-one (PubChem CID 54554662) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3,5-diethyl-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3,5-diethyl-4-hydroxy-1H-imidazol-2-one
PubChem CID54554662
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3,5-diethyl-4-hydroxy-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(CC)c1O
InChIInChI=1S/C7H12N2O2/c1-3-5-6(10)9(4-2)7(11)8-5/h10H,3-4H2,1-2H3,(H,8,11)
InChIKeyZMIGBYGJVJIWOD-UHFFFAOYSA-N
XLogP0.46
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3,5-diethyl-4-hydroxy-1H-imidazol-2-one (CID 54554662) is 3,5-diethyl-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3,5-diethyl-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3,5-diethyl-4-hydroxy-1H-imidazol-2-one is CCc1[nH]c(=O)n(CC)c1O.
What is the InChIKey of 3,5-diethyl-4-hydroxy-1H-imidazol-2-one?
The InChIKey is ZMIGBYGJVJIWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5-6(10)9(4-2)7(11)8-5/h10H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 3,5-diethyl-4-hydroxy-1H-imidazol-2-one?
3,5-diethyl-4-hydroxy-1H-imidazol-2-one has a molecular weight of 156.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 54554662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).