[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol

C40H60N4O6Si3 — CID 22486258

IUPAC[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol
SMILESCOc1cc(OCOCC[Si](C)(C)C)c(CO)c(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c1
InChIInChI=1S/C40H60N4O6Si3/c1-46-31-24-33(34(26-45)38(25-31)50-29-49-19-22-53(8,9)10)30-15-16-32-37(23-30)44(28-48-18-21-52(5,6)7)42-39(32)40-41-35-13-11-12-14-36(35)43(40)27-47-17-20-51(2,3)4/h11-16,23-25,45H,17-22,26-29H2,1-10H3
InChIKeyJXPWPLXJHOSTAX-UHFFFAOYSA-N
MW777.20 g/mol
LogP9.54
Rot. Bonds20

About [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol

[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol (PubChem CID 22486258) has the molecular formula C40H60N4O6Si3 and a molecular weight of 777.20 g/mol. Its IUPAC name is [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol
PubChem CID22486258
Molecular FormulaC40H60N4O6Si3
Molecular Weight777.20 g/mol
Exact Mass776.38
IUPAC Name[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol
SMILESCOc1cc(OCOCC[Si](C)(C)C)c(CO)c(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c1
InChIInChI=1S/C40H60N4O6Si3/c1-46-31-24-33(34(26-45)38(25-31)50-29-49-19-22-53(8,9)10)30-15-16-32-37(23-30)44(28-48-18-21-52(5,6)7)42-39(32)40-41-35-13-11-12-14-36(35)43(40)27-47-17-20-51(2,3)4/h11-16,23-25,45H,17-22,26-29H2,1-10H3
InChIKeyJXPWPLXJHOSTAX-UHFFFAOYSA-N
XLogP9.54
TPSA102.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.20
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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'}

Analyze [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?
The IUPAC name of [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol (CID 22486258) is [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol.
What is the SMILES notation for [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?
The canonical SMILES for [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol is COc1cc(OCOCC[Si](C)(C)C)c(CO)c(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c1.
What is the InChIKey of [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?
The InChIKey is JXPWPLXJHOSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H60N4O6Si3/c1-46-31-24-33(34(26-45)38(25-31)50-29-49-19-22-53(8,9)10)30-15-16-32-37(23-30)44(28-48-18-21-52(5,6)7)42-39(32)40-41-35-13-11-12-14-36(35)43(40)27-47-17-20-51(2,3)4/h11-16,23-25,45H,17-22,26-29H2,1-10H3.
What are the key properties of [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?
[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol has a molecular weight of 777.20 g/mol, XLogP of 9.54, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol is sourced from PubChem (CID 22486258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).