3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one

C11H12N2O2 — CID 57047240

IUPAC3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
SMILESCCn1c(O)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,14H,2H2,1H3,(H,12,15)
InChIKeyDQTXWWZTPYDJTC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.57
Rot. Bonds2

About 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one

3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one (PubChem CID 57047240) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
PubChem CID57047240
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
SMILESCCn1c(O)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,14H,2H2,1H3,(H,12,15)
InChIKeyDQTXWWZTPYDJTC-UHFFFAOYSA-N
XLogP1.57
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one (CID 57047240) is 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one is CCn1c(O)c(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one?
The InChIKey is DQTXWWZTPYDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,14H,2H2,1H3,(H,12,15).
What are the key properties of 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one?
3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 57047240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).