3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one

C14H19ClN2O — CID 83239935

IUPAC3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C)NC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-4-9(2)17-13(16-10(3)14(17)18)11-5-7-12(15)8-6-11/h5-10,13,16H,4H2,1-3H3
InChIKeyYSSFSMYXYFXAIL-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.96
Rot. Bonds3

About 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one

3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83239935) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
PubChem CID83239935
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C)NC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-4-9(2)17-13(16-10(3)14(17)18)11-5-7-12(15)8-6-11/h5-10,13,16H,4H2,1-3H3
InChIKeyYSSFSMYXYFXAIL-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one (CID 83239935) is 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one is CCC(C)N1C(=O)C(C)NC1c1ccc(Cl)cc1.
What is the InChIKey of 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is YSSFSMYXYFXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-4-9(2)17-13(16-10(3)14(17)18)11-5-7-12(15)8-6-11/h5-10,13,16H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one?
3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 266.77 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83239935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).