2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C39H57ClN4O4Si3 — CID 22980652

IUPAC2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(OCOCC[Si](C)(C)C)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C39H57ClN4O4Si3/c1-29-23-37(48-28-47-19-22-51(8,9)10)33(40)25-32(29)30-15-16-31-36(24-30)44(27-46-18-21-50(5,6)7)42-38(31)39-41-34-13-11-12-14-35(34)43(39)26-45-17-20-49(2,3)4/h11-16,23-25H,17-22,26-28H2,1-10H3
InChIKeyYCADQHXCKCDVQG-UHFFFAOYSA-N
MW765.62 g/mol
LogP11.00
Rot. Bonds18

About 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22980652) has the molecular formula C39H57ClN4O4Si3 and a molecular weight of 765.62 g/mol. Its IUPAC name is 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID22980652
Molecular FormulaC39H57ClN4O4Si3
Molecular Weight765.62 g/mol
Exact Mass764.34
IUPAC Name2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(OCOCC[Si](C)(C)C)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C39H57ClN4O4Si3/c1-29-23-37(48-28-47-19-22-51(8,9)10)33(40)25-32(29)30-15-16-31-36(24-30)44(27-46-18-21-50(5,6)7)42-38(31)39-41-34-13-11-12-14-35(34)43(39)26-45-17-20-49(2,3)4/h11-16,23-25H,17-22,26-28H2,1-10H3
InChIKeyYCADQHXCKCDVQG-UHFFFAOYSA-N
XLogP11.00
TPSA72.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.62
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylidene]hydroxylamine
CID 156776420
1-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-methylmethanamine
CID 156776429
N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-3-amine
CID 156776437
2-[[5-Ethyl-4-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]-2-fluorophenoxy]methoxy]ethyl-trimethylsilane
CID 156776439
1-[[2-[6-[2-Ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]piperidine-4-carbonitrile
CID 156776447
[2-[6-[2-Ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanamine
CID 156776453
2-[[5-Ethyl-2-fluoro-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
CID 171053701
2-[[4-[3-(1-Benzylimidazol-2-yl)-7-fluoro-1-(oxan-2-yl)indazol-6-yl]-3-ethylphenoxy]methoxy]ethyl-trimethylsilane
CID 171053703
2-[[3-Ethyl-4-[7-fluoro-1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
CID 171053722
6-[5-methoxy-2-methyl-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-(2-trimethylsilanyl-ethoxymethyl)-3-[1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-1H-indazole
CID 21877397
6-[5-methoxy-2-hydroxymethyl-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(2-trimethylsilanyl-ethoxymethyl)-3-[1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-1H-indazole
CID 21877401
2-[[6-[5-Methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 21877629

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22980652) is 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(OCOCC[Si](C)(C)C)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YCADQHXCKCDVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57ClN4O4Si3/c1-29-23-37(48-28-47-19-22-51(8,9)10)33(40)25-32(29)30-15-16-31-36(24-30)44(27-46-18-21-50(5,6)7)42-38(31)39-41-34-13-11-12-14-35(34)43(39)26-45-17-20-49(2,3)4/h11-16,23-25H,17-22,26-28H2,1-10H3.
What are the key properties of 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 765.62 g/mol, XLogP of 11.00, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22980652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).