2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one

C16H24ClN3O — CID 83252428

IUPAC2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
SMILESCCN(CC)CC(C)N1C(=O)CNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O/c1-4-19(5-2)11-12(3)20-15(21)10-18-16(20)13-6-8-14(17)9-7-13/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyYCPUQGLLBFMHIX-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one

2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one (PubChem CID 83252428) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
PubChem CID83252428
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
SMILESCCN(CC)CC(C)N1C(=O)CNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O/c1-4-19(5-2)11-12(3)20-15(21)10-18-16(20)13-6-8-14(17)9-7-13/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyYCPUQGLLBFMHIX-UHFFFAOYSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242920
2-(4-chlorophenyl)-3-(1-cyclopropylethyl)imidazolidin-4-one
CID 83244273
3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
CID 83239586
2-(4-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one
CID 83253193
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242756
2-(4-chlorophenyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257632
2-(4-fluorophenyl)-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246051
(2S)-2-(4-chlorophenyl)-3-hydroxyimidazolidin-4-one
CID 92534449
2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
CID 83256713
2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83262833
3-[1-(dimethylamino)propan-2-yl]-2-methylimidazolidin-4-one
CID 83260354

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one (CID 83252428) is 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one is CCN(CC)CC(C)N1C(=O)CNC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
The InChIKey is YCPUQGLLBFMHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-19(5-2)11-12(3)20-15(21)10-18-16(20)13-6-8-14(17)9-7-13/h6-9,12,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one has a molecular weight of 309.84 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one is sourced from PubChem (CID 83252428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).