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

C27H28N4O3 — CID 4881827

IUPAC3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C27H28N4O3/c1-34-24-14-12-23(13-15-24)30-18-16-29(17-19-30)20-31-25(32)27(28-26(31)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-20H2,1H3,(H,28,33)
InChIKeyRMBRCROVMPUCQG-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.27
Rot. Bonds6

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

3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 4881827) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID4881827
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C27H28N4O3/c1-34-24-14-12-23(13-15-24)30-18-16-29(17-19-30)20-31-25(32)27(28-26(31)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-20H2,1H3,(H,28,33)
InChIKeyRMBRCROVMPUCQG-UHFFFAOYSA-N
XLogP3.27
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 4881827) is 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is COc1ccc(N2CCN(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is RMBRCROVMPUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-34-24-14-12-23(13-15-24)30-18-16-29(17-19-30)20-31-25(32)27(28-26(31)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-20H2,1H3,(H,28,33).
What are the key properties of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 456.55 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 4881827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).