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

C16H23ClN2O — CID 83242766

IUPAC5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C(C)CC)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-4-10-19-15(12-6-8-13(17)9-7-12)18-14(16(19)20)11(3)5-2/h6-9,11,14-15,18H,4-5,10H2,1-3H3
InChIKeyMEXVRLRIYZLVBR-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.60
Rot. Bonds5

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

5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one (PubChem CID 83242766) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
PubChem CID83242766
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C(C)CC)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-4-10-19-15(12-6-8-13(17)9-7-12)18-14(16(19)20)11(3)5-2/h6-9,11,14-15,18H,4-5,10H2,1-3H3
InChIKeyMEXVRLRIYZLVBR-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one (CID 83242766) is 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one is CCCN1C(=O)C(C(C)CC)NC1c1ccc(Cl)cc1.
What is the InChIKey of 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one?
The InChIKey is MEXVRLRIYZLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-10-19-15(12-6-8-13(17)9-7-12)18-14(16(19)20)11(3)5-2/h6-9,11,14-15,18H,4-5,10H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one?
5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one has a molecular weight of 294.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one is sourced from PubChem (CID 83242766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).