3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C38H45N3O4Si — CID 156858879

IUPAC3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(/C=C/C3CCC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc21
InChIInChI=1S/C38H45N3O4Si/c1-38(2,3)46(30-11-7-5-8-12-30,31-13-9-6-10-14-31)45-26-29-19-16-27(17-20-29)15-18-28-21-22-32-34(25-28)40(4)37(44)41(32)33-23-24-35(42)39-36(33)43/h5-15,18,21-22,25,27,29,33H,16-17,19-20,23-24,26H2,1-4H3,(H,39,42,43)/b18-15+
InChIKeyWVELOPBTTBSYEH-OBGWFSINSA-N
MW635.88 g/mol
LogP5.71
Rot. Bonds8

About 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 156858879) has the molecular formula C38H45N3O4Si and a molecular weight of 635.88 g/mol. Its IUPAC name is 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID156858879
Molecular FormulaC38H45N3O4Si
Molecular Weight635.88 g/mol
Exact Mass635.32
IUPAC Name3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(/C=C/C3CCC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc21
InChIInChI=1S/C38H45N3O4Si/c1-38(2,3)46(30-11-7-5-8-12-30,31-13-9-6-10-14-31)45-26-29-19-16-27(17-20-29)15-18-28-21-22-32-34(25-28)40(4)37(44)41(32)33-23-24-35(42)39-36(33)43/h5-15,18,21-22,25,27,29,33H,16-17,19-20,23-24,26H2,1-4H3,(H,39,42,43)/b18-15+
InChIKeyWVELOPBTTBSYEH-OBGWFSINSA-N
XLogP5.71
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.88
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
tert-butyl 2-[4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]cyclohexyl]acetate
CID 155170182
3-[5-(aminomethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 171934885
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
3-[5-[[4-(2,2-dihydroxyethyl)cyclohexyl]methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166754498
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 150528335
3-[5-[4-(cyclobutylmethoxy)piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176963150
4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde
CID 156798922
tert-butyl N-[4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]amino]phenyl]carbamate
CID 156508005
3-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]propanoic acid
CID 166549761

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 156858879) is 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(/C=C/C3CCC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc21.
What is the InChIKey of 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is WVELOPBTTBSYEH-OBGWFSINSA-N. The full InChI is InChI=1S/C38H45N3O4Si/c1-38(2,3)46(30-11-7-5-8-12-30,31-13-9-6-10-14-31)45-26-29-19-16-27(17-20-29)15-18-28-21-22-32-34(25-28)40(4)37(44)41(32)33-23-24-35(42)39-36(33)43/h5-15,18,21-22,25,27,29,33H,16-17,19-20,23-24,26H2,1-4H3,(H,39,42,43)/b18-15+.
What are the key properties of 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 635.88 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 156858879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).