5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C20H24Cl2N4O3 — CID 121437603

IUPAC5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
InChIKeyVAKWUGCSPIRJRO-SVZXGPMESA-N
MW439.34 g/mol
LogP2.80
Rot. Bonds5

About 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437603) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437603
Molecular FormulaC20H24Cl2N4O3
Molecular Weight439.34 g/mol
Exact Mass438.12
IUPAC Name5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1
InChIKeyVAKWUGCSPIRJRO-SVZXGPMESA-N
XLogP2.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyrimidin-5-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437664
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylpyrrolidine-2,4-dione
CID 148755454
3-[(2S)-4-[3-(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)propanoyl]-2-methylpiperazin-1-yl]-5-fluorobenzonitrile
CID 121437613
5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134368735
(5S)-5-cyclopropyl-5-[3-[(5R)-7,8-dichloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 163196430
5-cyclopropyl-5-[3-[(3S)-4-(1H-isoindol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione
CID 147066350
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437676
(5S)-5-[3-(8-chloro-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166935603
5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437573
(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295
5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one
CID 170076860

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437603) is 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is VAKWUGCSPIRJRO-SVZXGPMESA-N. The full InChI is InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 439.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).