2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene

C51H83IN8O6Si4 — CID 157075053

IUPAC2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene
SMILESC=CC.C=Cc1cn(COCC[Si](C)(C)C)nc1-c1nc2ccc(OC)cc2n1COCC[Si](C)(C)C.COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)cc3I)n(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C25H40N4O3Si2.C23H37IN4O3Si2.C3H6/c1-9-20-17-28(18-31-12-14-33(3,4)5)27-24(20)25-26-22-11-10-21(30-2)16-23(22)29(25)19-32-13-15-34(6,7)8;1-29-18-8-9-20-21(14-18)28(17-31-11-13-33(5,6)7)23(25-20)22-19(24)15-27(26-22)16-30-10-12-32(2,3)4;1-3-2/h9-11,16-17H,1,12-15,18-19H2,2-8H3;8-9,14-15H,10-13,16-17H2,1-7H3;3H,1H2,2H3
InChIKeyACWKFLWSSHNUPY-UHFFFAOYSA-N
MW1143.52 g/mol
LogP13.51
Rot. Bonds25

About 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene

2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene (PubChem CID 157075053) has the molecular formula C51H83IN8O6Si4 and a molecular weight of 1143.52 g/mol. Its IUPAC name is 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene.

Molecular Properties

Compound Name2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene
PubChem CID157075053
Molecular FormulaC51H83IN8O6Si4
Molecular Weight1143.52 g/mol
Exact Mass1142.46
IUPAC Name2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene
SMILESC=CC.C=Cc1cn(COCC[Si](C)(C)C)nc1-c1nc2ccc(OC)cc2n1COCC[Si](C)(C)C.COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)cc3I)n(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C25H40N4O3Si2.C23H37IN4O3Si2.C3H6/c1-9-20-17-28(18-31-12-14-33(3,4)5)27-24(20)25-26-22-11-10-21(30-2)16-23(22)29(25)19-32-13-15-34(6,7)8;1-29-18-8-9-20-21(14-18)28(17-31-11-13-33(5,6)7)23(25-20)22-19(24)15-27(26-22)16-30-10-12-32(2,3)4;1-3-2/h9-11,16-17H,1,12-15,18-19H2,2-8H3;8-9,14-15H,10-13,16-17H2,1-7H3;3H,1H2,2H3
InChIKeyACWKFLWSSHNUPY-UHFFFAOYSA-N
XLogP13.51
TPSA126.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.52
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene with MolForge

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Related Compounds

N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]-5-methoxybenzimidazol-2-yl]pyridin-2-amine
CID 137550075
1-(6-Methoxypyridazin-3-yl)-2-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)benzimidazole
CID 53251132
5-bromo-3-[5-trifluoromethoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridine
CID 68886473
N-methyl-1-[5-[3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 68886951
Trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane
CID 68888171
Tert-butyl 4-[[4-[8-fluoro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 164870498
2-[[5-[3-[1-[(3,3-Difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164870589
1-[4-[7-[4,6-Difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 164870601
2-[4-[7-[4,6-Difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol
CID 164870603
2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164870706
2-[[5,7-Difluoro-2-methyl-6-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164870885
2-[[6-[3-[1-[(3,3-Difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 172482976

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene?
The IUPAC name of 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene (CID 157075053) is 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene.
What is the SMILES notation for 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene?
The canonical SMILES for 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene is C=CC.C=Cc1cn(COCC[Si](C)(C)C)nc1-c1nc2ccc(OC)cc2n1COCC[Si](C)(C)C.COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)cc3I)n(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene?
The InChIKey is ACWKFLWSSHNUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3Si2.C23H37IN4O3Si2.C3H6/c1-9-20-17-28(18-31-12-14-33(3,4)5)27-24(20)25-26-22-11-10-21(30-2)16-23(22)29(25)19-32-13-15-34(6,7)8;1-29-18-8-9-20-21(14-18)28(17-31-11-13-33(5,6)7)23(25-20)22-19(24)15-27(26-22)16-30-10-12-32(2,3)4;1-3-2/h9-11,16-17H,1,12-15,18-19H2,2-8H3;8-9,14-15H,10-13,16-17H2,1-7H3;3H,1H2,2H3.
What are the key properties of 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene?
2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene has a molecular weight of 1143.52 g/mol, XLogP of 13.51, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene is sourced from PubChem (CID 157075053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).