benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate

C24H32N6O3Si — CID 156752220

IUPACbenzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate
SMILESC[Si](C)(C)CCOCn1c(CNC(=O)OCc2ccccc2)nc2cc(CCN=[N+]=[N-])ccc21
InChIInChI=1S/C24H32N6O3Si/c1-34(2,3)14-13-32-18-30-22-10-9-19(11-12-27-29-25)15-21(22)28-23(30)16-26-24(31)33-17-20-7-5-4-6-8-20/h4-10,15H,11-14,16-18H2,1-3H3,(H,26,31)
InChIKeyUHWITTHYIPGPGR-UHFFFAOYSA-N
MW480.65 g/mol
LogP5.63
Rot. Bonds12

About benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate

benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate (PubChem CID 156752220) has the molecular formula C24H32N6O3Si and a molecular weight of 480.65 g/mol. Its IUPAC name is benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate
PubChem CID156752220
Molecular FormulaC24H32N6O3Si
Molecular Weight480.65 g/mol
Exact Mass480.23
IUPAC Namebenzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate
SMILESC[Si](C)(C)CCOCn1c(CNC(=O)OCc2ccccc2)nc2cc(CCN=[N+]=[N-])ccc21
InChIInChI=1S/C24H32N6O3Si/c1-34(2,3)14-13-32-18-30-22-10-9-19(11-12-27-29-25)15-21(22)28-23(30)16-26-24(31)33-17-20-7-5-4-6-8-20/h4-10,15H,11-14,16-18H2,1-3H3,(H,26,31)
InChIKeyUHWITTHYIPGPGR-UHFFFAOYSA-N
XLogP5.63
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(phenylmethoxycarbonylaminomethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl methanesulfonate
CID 156752270
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
CID 110791642
benzyl N-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 18116769
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353
benzyl N-[[6-bromo-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-methylcarbamate
CID 66820472
2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 20626808
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate
CID 24807791
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
CID 86705759
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate (CID 156752220) is benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate is C[Si](C)(C)CCOCn1c(CNC(=O)OCc2ccccc2)nc2cc(CCN=[N+]=[N-])ccc21.
What is the InChIKey of benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate?
The InChIKey is UHWITTHYIPGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3Si/c1-34(2,3)14-13-32-18-30-22-10-9-19(11-12-27-29-25)15-21(22)28-23(30)16-26-24(31)33-17-20-7-5-4-6-8-20/h4-10,15H,11-14,16-18H2,1-3H3,(H,26,31).
What are the key properties of benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate?
benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate has a molecular weight of 480.65 g/mol, XLogP of 5.63, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[5-(2-azidoethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 156752220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).