methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate

C24H27BrN2O4 — CID 56934962

IUPACmethyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(CCCCCCBr)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H27BrN2O4/c1-31-21(28)18-26-22(29)24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)27(23(26)30)17-11-3-2-10-16-25/h4-9,12-15H,2-3,10-11,16-18H2,1H3
InChIKeyALZMPTOTEXXNMF-UHFFFAOYSA-N
MW487.39 g/mol
LogP4.32
Rot. Bonds10

About methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate

methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate (PubChem CID 56934962) has the molecular formula C24H27BrN2O4 and a molecular weight of 487.39 g/mol. Its IUPAC name is methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
PubChem CID56934962
Molecular FormulaC24H27BrN2O4
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Namemethyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(CCCCCCBr)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H27BrN2O4/c1-31-21(28)18-26-22(29)24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)27(23(26)30)17-11-3-2-10-16-25/h4-9,12-15H,2-3,10-11,16-18H2,1H3
InChIKeyALZMPTOTEXXNMF-UHFFFAOYSA-N
XLogP4.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2,5-dioxo-4,4-diphenyl-3-(6-phenylselanylhexyl)imidazolidin-1-yl]acetate
CID 163408875
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
methyl 4-[3,4-dihydroxy-2-(4-methoxy-4-oxobutyl)-1,2-diphenylcyclobutyl]butanoate
CID 134094247
methyl 4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxybenzoate
CID 8961265
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
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
2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid
CID 21155109
1-(5-bromopentyl)-3,3-dimethylindol-2-one
CID 80500399
methyl 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 57004759
methyl 20-bromoicosanoate
CID 155895697
tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
CID 166604130

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate (CID 56934962) is methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate is COC(=O)CN1C(=O)N(CCCCCCBr)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
The InChIKey is ALZMPTOTEXXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O4/c1-31-21(28)18-26-22(29)24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)27(23(26)30)17-11-3-2-10-16-25/h4-9,12-15H,2-3,10-11,16-18H2,1H3.
What are the key properties of methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate?
methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate has a molecular weight of 487.39 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 56934962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).