5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione

C22H29ClN4O3 — CID 121437938

IUPAC5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C3CCCC3)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H29ClN4O3/c1-15-6-7-17(23)14-18(15)26-10-12-27(13-11-26)19(28)8-9-22(16-4-2-3-5-16)20(29)24-21(30)25-22/h6-7,14,16H,2-5,8-13H2,1H3,(H2,24,25,29,30)
InChIKeyBIWZDPANVRUFFA-UHFFFAOYSA-N
MW432.95 g/mol
LogP2.85
Rot. Bonds5

About 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione

5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione (PubChem CID 121437938) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
PubChem CID121437938
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C3CCCC3)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H29ClN4O3/c1-15-6-7-17(23)14-18(15)26-10-12-27(13-11-26)19(28)8-9-22(16-4-2-3-5-16)20(29)24-21(30)25-22/h6-7,14,16H,2-5,8-13H2,1H3,(H2,24,25,29,30)
InChIKeyBIWZDPANVRUFFA-UHFFFAOYSA-N
XLogP2.85
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 52.85
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

(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295
(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-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one
CID 45232703
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 145108870
7-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]heptan-1-one
CID 119829060
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylpyrrolidine-2,4-dione
CID 159160080
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]propyl]imidazolidine-2,4-dione
CID 166935727
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione (CID 121437938) is 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione is Cc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C3CCCC3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione?
The InChIKey is BIWZDPANVRUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-15-6-7-17(23)14-18(15)26-10-12-27(13-11-26)19(28)8-9-22(16-4-2-3-5-16)20(29)24-21(30)25-22/h6-7,14,16H,2-5,8-13H2,1H3,(H2,24,25,29,30).
What are the key properties of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione?
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione has a molecular weight of 432.95 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione is sourced from PubChem (CID 121437938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).