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

C23H27ClN4O4 — CID 4882608

IUPAC3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1OC
InChIInChI=1S/C23H27ClN4O4/c1-23(16-7-8-19(31-2)20(13-16)32-3)21(29)28(22(30)25-23)15-26-9-11-27(12-10-26)18-6-4-5-17(24)14-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,30)
InChIKeyYTNPVFVTVKPNCD-UHFFFAOYSA-N
MW458.95 g/mol
LogP2.90
Rot. Bonds6

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

3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 4882608) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID4882608
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC Name3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1OC
InChIInChI=1S/C23H27ClN4O4/c1-23(16-7-8-19(31-2)20(13-16)32-3)21(29)28(22(30)25-23)15-26-9-11-27(12-10-26)18-6-4-5-17(24)14-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,30)
InChIKeyYTNPVFVTVKPNCD-UHFFFAOYSA-N
XLogP2.90
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7987019
3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5S)-5-(4-chlorophenyl)-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 2470371
3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82147846
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55351953
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24593361
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40987053
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 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 4882608) is 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1OC.
What is the InChIKey of 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is YTNPVFVTVKPNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-23(16-7-8-19(31-2)20(13-16)32-3)21(29)28(22(30)25-23)15-26-9-11-27(12-10-26)18-6-4-5-17(24)14-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,30).
What are the key properties of 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 458.95 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4882608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).