3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one

C13H17ClN2O — CID 83239586

IUPAC3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
SMILESCCC(C)N1C(=O)CNC1c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-3-9(2)16-12(17)8-15-13(16)10-5-4-6-11(14)7-10/h4-7,9,13,15H,3,8H2,1-2H3
InChIKeyPAFZOJYNKYBRCV-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.57
Rot. Bonds3

About 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one

3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one (PubChem CID 83239586) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
PubChem CID83239586
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
SMILESCCC(C)N1C(=O)CNC1c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-3-9(2)16-12(17)8-15-13(16)10-5-4-6-11(14)7-10/h4-7,9,13,15H,3,8H2,1-2H3
InChIKeyPAFZOJYNKYBRCV-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.57
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-(3-chlorophenyl)imidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one (CID 83239586) is 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one is CCC(C)N1C(=O)CNC1c1cccc(Cl)c1.
What is the InChIKey of 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one?
The InChIKey is PAFZOJYNKYBRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-9(2)16-12(17)8-15-13(16)10-5-4-6-11(14)7-10/h4-7,9,13,15H,3,8H2,1-2H3.
What are the key properties of 3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one?
3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one has a molecular weight of 252.74 g/mol, XLogP of 2.57, 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-(3-chlorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83239586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).