2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile

C29H36N4O4Si — CID 58386935

IUPAC2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Cc1ccc(C2CC(=O)NC(=O)C2)cc1C1=CCCCC1
InChIInChI=1S/C29H36N4O4Si/c1-38(2,3)12-11-37-19-33-18-24(17-30)31-29(33)26(34)14-22-10-9-21(23-15-27(35)32-28(36)16-23)13-25(22)20-7-5-4-6-8-20/h7,9-10,13,18,23H,4-6,8,11-12,14-16,19H2,1-3H3,(H,32,35,36)
InChIKeyQUHUPEUNPFLBJU-UHFFFAOYSA-N
MW532.72 g/mol
LogP4.97
Rot. Bonds10

About 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile

2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile (PubChem CID 58386935) has the molecular formula C29H36N4O4Si and a molecular weight of 532.72 g/mol. Its IUPAC name is 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
PubChem CID58386935
Molecular FormulaC29H36N4O4Si
Molecular Weight532.72 g/mol
Exact Mass532.25
IUPAC Name2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Cc1ccc(C2CC(=O)NC(=O)C2)cc1C1=CCCCC1
InChIInChI=1S/C29H36N4O4Si/c1-38(2,3)12-11-37-19-33-18-24(17-30)31-29(33)26(34)14-22-10-9-21(23-15-27(35)32-28(36)16-23)13-25(22)20-7-5-4-6-8-20/h7,9-10,13,18,23H,4-6,8,11-12,14-16,19H2,1-3H3,(H,32,35,36)
InChIKeyQUHUPEUNPFLBJU-UHFFFAOYSA-N
XLogP4.97
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.72
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile?
The IUPAC name of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile (CID 58386935) is 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile.
What is the SMILES notation for 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile?
The canonical SMILES for 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile is C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Cc1ccc(C2CC(=O)NC(=O)C2)cc1C1=CCCCC1.
What is the InChIKey of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile?
The InChIKey is QUHUPEUNPFLBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4Si/c1-38(2,3)12-11-37-19-33-18-24(17-30)31-29(33)26(34)14-22-10-9-21(23-15-27(35)32-28(36)16-23)13-25(22)20-7-5-4-6-8-20/h7,9-10,13,18,23H,4-6,8,11-12,14-16,19H2,1-3H3,(H,32,35,36).
What are the key properties of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile?
2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile has a molecular weight of 532.72 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile is sourced from PubChem (CID 58386935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).