methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate

C30H32N2O4Se — CID 163408875

IUPACmethyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(CCCCCC[Se]c2ccccc2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C30H32N2O4Se/c1-36-27(33)23-31-28(34)30(24-15-7-4-8-16-24,25-17-9-5-10-18-25)32(29(31)35)21-13-2-3-14-22-37-26-19-11-6-12-20-26/h4-12,15-20H,2-3,13-14,21-23H2,1H3
InChIKeyKOMRNQCZULYKIK-UHFFFAOYSA-N
MW563.56 g/mol
LogP4.38
Rot. Bonds12

About methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate

methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate (PubChem CID 163408875) has the molecular formula C30H32N2O4Se and a molecular weight of 563.56 g/mol. Its IUPAC name is methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate
PubChem CID163408875
Molecular FormulaC30H32N2O4Se
Molecular Weight563.56 g/mol
Exact Mass564.15
IUPAC Namemethyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(CCCCCC[Se]c2ccccc2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C30H32N2O4Se/c1-36-27(33)23-31-28(34)30(24-15-7-4-8-16-24,25-17-9-5-10-18-25)32(29(31)35)21-13-2-3-14-22-37-26-19-11-6-12-20-26/h4-12,15-20H,2-3,13-14,21-23H2,1H3
InChIKeyKOMRNQCZULYKIK-UHFFFAOYSA-N
XLogP4.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
CID 56934962
methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
CID 131843957
methyl 2-[8-butan-2-yl-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45163960
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708470
dimethyl (3S,4S,5S)-1-(2-methoxy-2-oxoethyl)-2-oxo-5-phenylpyrrolidine-3,4-dicarboxylate
CID 15314815
methyl 2-[8-[[5-(methoxymethyl)furan-2-yl]methyl]-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 26225627
methyl 4-oxo-5-phenylselanylpentanoate
CID 13004959
2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid
CID 21155109
methyl (4R)-4-hydroxy-5-phenylselanylpentanoate
CID 101347275
tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
CID 166604130
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
(2-fluorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708875

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate (CID 163408875) is methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate is COC(=O)CN1C(=O)N(CCCCCC[Se]c2ccccc2)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate?
The InChIKey is KOMRNQCZULYKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4Se/c1-36-27(33)23-31-28(34)30(24-15-7-4-8-16-24,25-17-9-5-10-18-25)32(29(31)35)21-13-2-3-14-22-37-26-19-11-6-12-20-26/h4-12,15-20H,2-3,13-14,21-23H2,1H3.
What are the key properties of methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate?
methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate has a molecular weight of 563.56 g/mol, XLogP of 4.38, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate is sourced from PubChem (CID 163408875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).