benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate

C30H39N5O5Si — CID 165134099

IUPACbenzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1COCC[Si](C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C30H39N5O5Si/c1-32(30(38)40-19-21-9-7-6-8-10-21)17-26-31-24-15-23(22-11-12-22)16-25(34-18-27(36)33(2)29(34)37)28(24)35(26)20-39-13-14-41(3,4)5/h6-10,15-16,22H,11-14,17-20H2,1-5H3
InChIKeyUAHUJDBRRNTPGJ-UHFFFAOYSA-N
MW577.76 g/mol
LogP5.39
Rot. Bonds11

About benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate

benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate (PubChem CID 165134099) has the molecular formula C30H39N5O5Si and a molecular weight of 577.76 g/mol. Its IUPAC name is benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate
PubChem CID165134099
Molecular FormulaC30H39N5O5Si
Molecular Weight577.76 g/mol
Exact Mass577.27
IUPAC Namebenzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1COCC[Si](C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C30H39N5O5Si/c1-32(30(38)40-19-21-9-7-6-8-10-21)17-26-31-24-15-23(22-11-12-22)16-25(34-18-27(36)33(2)29(34)37)28(24)35(26)20-39-13-14-41(3,4)5/h6-10,15-16,22H,11-14,17-20H2,1-5H3
InChIKeyUAHUJDBRRNTPGJ-UHFFFAOYSA-N
XLogP5.39
TPSA97.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.76
LogP ≤ 55.39
H-Bond Donors ≤ 50
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': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate (CID 165134099) is benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate is CN(Cc1nc2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1COCC[Si](C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate?
The InChIKey is UAHUJDBRRNTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O5Si/c1-32(30(38)40-19-21-9-7-6-8-10-21)17-26-31-24-15-23(22-11-12-22)16-25(34-18-27(36)33(2)29(34)37)28(24)35(26)20-39-13-14-41(3,4)5/h6-10,15-16,22H,11-14,17-20H2,1-5H3.
What are the key properties of benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate?
benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate has a molecular weight of 577.76 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 165134099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).