3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one

C11H11ClN2O — CID 103125438

IUPAC3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one
SMILESCC(c1ccccc1Cl)n1cc[nH]c1=O
InChIInChI=1S/C11H11ClN2O/c1-8(14-7-6-13-11(14)15)9-4-2-3-5-10(9)12/h2-8H,1H3,(H,13,15)
InChIKeyGQHJTKYVRNWEIO-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.44
Rot. Bonds2

About 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one

3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one (PubChem CID 103125438) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one
PubChem CID103125438
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one
SMILESCC(c1ccccc1Cl)n1cc[nH]c1=O
InChIInChI=1S/C11H11ClN2O/c1-8(14-7-6-13-11(14)15)9-4-2-3-5-10(9)12/h2-8H,1H3,(H,13,15)
InChIKeyGQHJTKYVRNWEIO-UHFFFAOYSA-N
XLogP2.44
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one (CID 103125438) is 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one is CC(c1ccccc1Cl)n1cc[nH]c1=O.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one?
The InChIKey is GQHJTKYVRNWEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8(14-7-6-13-11(14)15)9-4-2-3-5-10(9)12/h2-8H,1H3,(H,13,15).
What are the key properties of 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one?
3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one has a molecular weight of 222.68 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).