1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea

C24H43F3N4O4Si — CID 171536541

IUPAC1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea
SMILESCC1(CN2C(=O)N(COCC[Si](C)(C)C)C(=O)C2(C)C)CCC(NC(=O)NCCCC(F)(F)F)CC1
InChIInChI=1S/C24H43F3N4O4Si/c1-22(2)19(32)30(17-35-14-15-36(4,5)6)21(34)31(22)16-23(3)11-8-18(9-12-23)29-20(33)28-13-7-10-24(25,26)27/h18H,7-17H2,1-6H3,(H2,28,29,33)
InChIKeyMSLGYXBTKJBSJW-UHFFFAOYSA-N
MW536.71 g/mol
LogP4.93
Rot. Bonds11

About 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea

1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea (PubChem CID 171536541) has the molecular formula C24H43F3N4O4Si and a molecular weight of 536.71 g/mol. Its IUPAC name is 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea.

Molecular Properties

Compound Name1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea
PubChem CID171536541
Molecular FormulaC24H43F3N4O4Si
Molecular Weight536.71 g/mol
Exact Mass536.30
IUPAC Name1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea
SMILESCC1(CN2C(=O)N(COCC[Si](C)(C)C)C(=O)C2(C)C)CCC(NC(=O)NCCCC(F)(F)F)CC1
InChIInChI=1S/C24H43F3N4O4Si/c1-22(2)19(32)30(17-35-14-15-36(4,5)6)21(34)31(22)16-23(3)11-8-18(9-12-23)29-20(33)28-13-7-10-24(25,26)27/h18H,7-17H2,1-6H3,(H2,28,29,33)
InChIKeyMSLGYXBTKJBSJW-UHFFFAOYSA-N
XLogP4.93
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.71
LogP ≤ 54.93
H-Bond Donors ≤ 52
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'}

Analyze 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea with MolForge

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Related Compounds

1-tert-butyl-3-[2-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazaspiro[4.5]decan-1-yl]spiro[3.5]nonan-7-yl]urea
CID 171536574
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
5,5-dimethylimidazolidine-2,4-dione;5,5-dimethyl-1-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione;5,5-dimethyl-1-(2-morpholin-4-ylethyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5,5-dimethyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 163852956
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea
CID 165468943
2-amino-3,3-dicyclopropyl-N-[(3S)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)indol-6-yl]prop-2-enamide
CID 177368453
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504669
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea?
The IUPAC name of 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea (CID 171536541) is 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea.
What is the SMILES notation for 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea?
The canonical SMILES for 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea is CC1(CN2C(=O)N(COCC[Si](C)(C)C)C(=O)C2(C)C)CCC(NC(=O)NCCCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea?
The InChIKey is MSLGYXBTKJBSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43F3N4O4Si/c1-22(2)19(32)30(17-35-14-15-36(4,5)6)21(34)31(22)16-23(3)11-8-18(9-12-23)29-20(33)28-13-7-10-24(25,26)27/h18H,7-17H2,1-6H3,(H2,28,29,33).
What are the key properties of 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea?
1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea has a molecular weight of 536.71 g/mol, XLogP of 4.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5,5-dimethyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)imidazolidin-1-yl]methyl]-4-methylcyclohexyl]-3-(4,4,4-trifluorobutyl)urea is sourced from PubChem (CID 171536541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).