(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C22H25ClN4O3 — CID 2573818

IUPAC(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc([C@]2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1
InChIInChI=1S/C22H25ClN4O3/c1-22(16-5-3-8-19(13-16)30-2)20(28)27(21(29)24-22)15-25-9-11-26(12-10-25)18-7-4-6-17(23)14-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeySBMZPDXQXQAZEY-QFIPXVFZSA-N
MW428.92 g/mol
LogP2.90
Rot. Bonds5

About (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2573818) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID2573818
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc([C@]2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1
InChIInChI=1S/C22H25ClN4O3/c1-22(16-5-3-8-19(13-16)30-2)20(28)27(21(29)24-22)15-25-9-11-26(12-10-25)18-7-4-6-17(23)14-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeySBMZPDXQXQAZEY-QFIPXVFZSA-N
XLogP2.90
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 4882608
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 92786687
5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55351953
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 9280265
(5R)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925198
(5S)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925196
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484743

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 2573818) is (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1cccc([C@]2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1.
What is the InChIKey of (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SBMZPDXQXQAZEY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-22(16-5-3-8-19(13-16)30-2)20(28)27(21(29)24-22)15-25-9-11-26(12-10-25)18-7-4-6-17(23)14-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,29)/t22-/m0/s1.
What are the key properties of (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 428.92 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2573818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).