3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione

C21H29ClN4O3 — CID 9082251

IUPAC3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)N2CCN(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C21H29ClN4O3/c1-3-9-21(10-4-2)19(28)26(20(29)23-21)15-18(27)25-13-11-24(12-14-25)17-8-6-5-7-16(17)22/h5-8H,3-4,9-15H2,1-2H3,(H,23,29)
InChIKeyXJEJAWVUXJTIDY-UHFFFAOYSA-N
MW420.94 g/mol
LogP2.88
Rot. Bonds7

About 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione

3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione (PubChem CID 9082251) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
PubChem CID9082251
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC Name3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)N2CCN(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C21H29ClN4O3/c1-3-9-21(10-4-2)19(28)26(20(29)23-21)15-18(27)25-13-11-24(12-14-25)17-8-6-5-7-16(17)22/h5-8H,3-4,9-15H2,1-2H3,(H,23,29)
InChIKeyXJEJAWVUXJTIDY-UHFFFAOYSA-N
XLogP2.88
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 84601215
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17406638
(3aS,7aS)-2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 8581240
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 29156188
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846
(5R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572254
(5S)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572251
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
(5S)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 24565962
3-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 87011014

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione (CID 9082251) is 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione is CCCC1(CCC)NC(=O)N(CC(=O)N2CCN(c3ccccc3Cl)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The InChIKey is XJEJAWVUXJTIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O3/c1-3-9-21(10-4-2)19(28)26(20(29)23-21)15-18(27)25-13-11-24(12-14-25)17-8-6-5-7-16(17)22/h5-8H,3-4,9-15H2,1-2H3,(H,23,29).
What are the key properties of 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione has a molecular weight of 420.94 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione is sourced from PubChem (CID 9082251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).