5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C20H24Cl2N4O3 — CID 86903510

IUPAC5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)C1=O
InChIInChI=1S/C20H24Cl2N4O3/c1-20(14-5-6-14)18(28)26(19(29)23-20)12-16(27)25-9-7-24(8-10-25)11-13-3-2-4-15(21)17(13)22/h2-4,14H,5-12H2,1H3,(H,23,29)
InChIKeyNLLACERKOYRIAD-UHFFFAOYSA-N
MW439.34 g/mol
LogP2.36
Rot. Bonds5

About 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 86903510) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID86903510
Molecular FormulaC20H24Cl2N4O3
Molecular Weight439.34 g/mol
Exact Mass438.12
IUPAC Name5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)C1=O
InChIInChI=1S/C20H24Cl2N4O3/c1-20(14-5-6-14)18(28)26(19(29)23-20)12-16(27)25-9-7-24(8-10-25)11-13-3-2-4-15(21)17(13)22/h2-4,14H,5-12H2,1H3,(H,23,29)
InChIKeyNLLACERKOYRIAD-UHFFFAOYSA-N
XLogP2.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 52.36
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-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
5-cyclopropyl-5-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 78790835
5-cyclopropyl-3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17440358
(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325392
2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 86905781
3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542042
(5S)-5-cyclopropyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 94512474
(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41197745
2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642373
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
CID 8576335
5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 18154885

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 86903510) is 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)C1=O.
What is the InChIKey of 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NLLACERKOYRIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O3/c1-20(14-5-6-14)18(28)26(19(29)23-20)12-16(27)25-9-7-24(8-10-25)11-13-3-2-4-15(21)17(13)22/h2-4,14H,5-12H2,1H3,(H,23,29).
What are the key properties of 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 439.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 86903510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).