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

C31H36N4O3 — CID 57384073

IUPAC1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3
InChIKeyWDBLAZNCHMHPRY-UHFFFAOYSA-N
MW512.65 g/mol
LogP4.44
Rot. Bonds9

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

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 57384073) has the molecular formula C31H36N4O3 and a molecular weight of 512.65 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
PubChem CID57384073
Molecular FormulaC31H36N4O3
Molecular Weight512.65 g/mol
Exact Mass512.28
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3
InChIKeyWDBLAZNCHMHPRY-UHFFFAOYSA-N
XLogP4.44
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.65
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione (CID 57384073) is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione is COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is WDBLAZNCHMHPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 512.65 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 57384073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).