4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one

C11H11ClN2O — CID 105479994

IUPAC4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one
SMILESCCc1[nH]c(=O)[nH]c1-c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-9-10(14-11(15)13-9)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyVJFOPZKOBGNCAM-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.59
Rot. Bonds2

About 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one

4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one (PubChem CID 105479994) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one
PubChem CID105479994
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one
SMILESCCc1[nH]c(=O)[nH]c1-c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-2-9-10(14-11(15)13-9)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyVJFOPZKOBGNCAM-UHFFFAOYSA-N
XLogP2.59
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one (CID 105479994) is 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one is CCc1[nH]c(=O)[nH]c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one?
The InChIKey is VJFOPZKOBGNCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-9-10(14-11(15)13-9)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14,15).
What are the key properties of 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one?
4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one has a molecular weight of 222.68 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 105479994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).