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

C23H25ClN4O3 — CID 43001987

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1
InChIInChI=1S/C23H25ClN4O3/c1-16-6-8-17(9-7-16)23(2)21(30)28(22(31)25-23)15-20(29)27-12-10-26(11-13-27)19-5-3-4-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3,(H,25,31)
InChIKeyUUDSPPYZIKGHOR-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.76
Rot. Bonds4

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

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 43001987) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID43001987
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1
InChIInChI=1S/C23H25ClN4O3/c1-16-6-8-17(9-7-16)23(2)21(30)28(22(31)25-23)15-20(29)27-12-10-26(11-13-27)19-5-3-4-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3,(H,25,31)
InChIKeyUUDSPPYZIKGHOR-UHFFFAOYSA-N
XLogP2.76
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.76
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-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484743
3-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 46479011
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 75392176
5-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 112791409
3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 166184627
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122190142
(5S,6R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9146026
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55400582
(5R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2581931
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119517289
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
(5R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242654

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 43001987) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is UUDSPPYZIKGHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-16-6-8-17(9-7-16)23(2)21(30)28(22(31)25-23)15-20(29)27-12-10-26(11-13-27)19-5-3-4-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3,(H,25,31).
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 440.93 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43001987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).