2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C33H41ClN6O2SSi — CID 164870777

IUPAC2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCSC1CCC(Cn2cc(-c3cnc4ccc(Oc5ccc6nc(C)n(COCC[Si](C)(C)C)c6c5)c(Cl)c4n3)cn2)CC1
InChIInChI=1S/C33H41ClN6O2SSi/c1-22-37-27-11-8-25(16-30(27)40(22)21-41-14-15-44(3,4)5)42-31-13-12-28-33(32(31)34)38-29(18-35-28)24-17-36-39(20-24)19-23-6-9-26(43-2)10-7-23/h8,11-13,16-18,20,23,26H,6-7,9-10,14-15,19,21H2,1-5H3
InChIKeyFOESWJVTDFIWOD-UHFFFAOYSA-N
MW649.34 g/mol
LogP8.83
Rot. Bonds11

About 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870777) has the molecular formula C33H41ClN6O2SSi and a molecular weight of 649.34 g/mol. Its IUPAC name is 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164870777
Molecular FormulaC33H41ClN6O2SSi
Molecular Weight649.34 g/mol
Exact Mass648.25
IUPAC Name2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCSC1CCC(Cn2cc(-c3cnc4ccc(Oc5ccc6nc(C)n(COCC[Si](C)(C)C)c6c5)c(Cl)c4n3)cn2)CC1
InChIInChI=1S/C33H41ClN6O2SSi/c1-22-37-27-11-8-25(16-30(27)40(22)21-41-14-15-44(3,4)5)42-31-13-12-28-33(32(31)34)38-29(18-35-28)24-17-36-39(20-24)19-23-6-9-26(43-2)10-7-23/h8,11-13,16-18,20,23,26H,6-7,9-10,14-15,19,21H2,1-5H3
InChIKeyFOESWJVTDFIWOD-UHFFFAOYSA-N
XLogP8.83
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.34
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]-1,1-dioxothiazinane-2-carboxylic acid
CID 174156026
4-[2-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethyl]piperidine-1-carboxylic acid
CID 174156004
1-[[6-[5-chloro-3-[1-[(4-methylsulfonylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562298
4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 164870530
tert-butyl (3S,4S)-4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate
CID 164870502
2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164870902
1-[[6-[5-chloro-3-[1-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562251
8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-[(4-methylsulfonylcyclohexyl)methyl]pyrazol-4-yl]quinoxaline
CID 164870750
1-[[6-[5-chloro-3-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562319
1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562282
tert-butyl 2-[[4-[8-chloro-7-[2-methyl-1-(1-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]morpholine-4-carboxylate
CID 170562254
8-chloro-2-[1-[(1-methoxycyclopropyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline
CID 170775132

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870777) is 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is CSC1CCC(Cn2cc(-c3cnc4ccc(Oc5ccc6nc(C)n(COCC[Si](C)(C)C)c6c5)c(Cl)c4n3)cn2)CC1.
What is the InChIKey of 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FOESWJVTDFIWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41ClN6O2SSi/c1-22-37-27-11-8-25(16-30(27)40(22)21-41-14-15-44(3,4)5)42-31-13-12-28-33(32(31)34)38-29(18-35-28)24-17-36-39(20-24)19-23-6-9-26(43-2)10-7-23/h8,11-13,16-18,20,23,26H,6-7,9-10,14-15,19,21H2,1-5H3.
What are the key properties of 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 649.34 g/mol, XLogP of 8.83, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).