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

C11H11ClN2O — CID 145369251

IUPAC4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(-c2ccccc2)c1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-9-10(12)14(11(15)13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15)
InChIKeyGOBRVIYQATVAFO-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.38
Rot. Bonds2

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

4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one (PubChem CID 145369251) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one
PubChem CID145369251
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(-c2ccccc2)c1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-9-10(12)14(11(15)13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15)
InChIKeyGOBRVIYQATVAFO-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one?
The IUPAC name of 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one (CID 145369251) is 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one?
The canonical SMILES for 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one is CCc1[nH]c(=O)n(-c2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one?
The InChIKey is GOBRVIYQATVAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-9-10(12)14(11(15)13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15).
What are the key properties of 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one?
4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one has a molecular weight of 222.68 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-3-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 145369251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).