1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

C30H35ClN4O3 — CID 70688227

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C30H34N4O3.ClH/c1-31-28(35)30(24-12-5-3-6-13-24,25-14-7-4-8-15-25)34(29(31)36)19-11-18-32-20-22-33(23-21-32)26-16-9-10-17-27(26)37-2;/h3-10,12-17H,11,18-23H2,1-2H3;1H
InChIKeyNGSAIUNKCLGEDL-UHFFFAOYSA-N
MW535.09 g/mol
LogP4.47
Rot. Bonds8

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (PubChem CID 70688227) has the molecular formula C30H35ClN4O3 and a molecular weight of 535.09 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
PubChem CID70688227
Molecular FormulaC30H35ClN4O3
Molecular Weight535.09 g/mol
Exact Mass534.24
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C30H34N4O3.ClH/c1-31-28(35)30(24-12-5-3-6-13-24,25-14-7-4-8-15-25)34(29(31)36)19-11-18-32-20-22-33(23-21-32)26-16-9-10-17-27(26)37-2;/h3-10,12-17H,11,18-23H2,1-2H3;1H
InChIKeyNGSAIUNKCLGEDL-UHFFFAOYSA-N
XLogP4.47
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.09
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 11342048
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 10692544
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 118724631

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (CID 70688227) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is NGSAIUNKCLGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3.ClH/c1-31-28(35)30(24-12-5-3-6-13-24,25-14-7-4-8-15-25)34(29(31)36)19-11-18-32-20-22-33(23-21-32)26-16-9-10-17-27(26)37-2;/h3-10,12-17H,11,18-23H2,1-2H3;1H.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 535.09 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 70688227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).