2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C27H30N4O2Si — CID 135718574

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)cc1
InChIInChI=1S/C27H30N4O2Si/c1-32-21-12-9-19(10-13-21)20-11-14-25-22(17-20)26(27-28-23-7-5-6-8-24(23)29-27)30-31(25)18-33-15-16-34(2,3)4/h5-14,17H,15-16,18H2,1-4H3,(H,28,29)
InChIKeyKVJIICFGGILFJR-UHFFFAOYSA-N
MW470.65 g/mol
LogP6.57
Rot. Bonds8

About 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718574) has the molecular formula C27H30N4O2Si and a molecular weight of 470.65 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135718574
Molecular FormulaC27H30N4O2Si
Molecular Weight470.65 g/mol
Exact Mass470.21
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)cc1
InChIInChI=1S/C27H30N4O2Si/c1-32-21-12-9-19(10-13-21)20-11-14-25-22(17-20)26(27-28-23-7-5-6-8-24(23)29-27)30-31(25)18-33-15-16-34(2,3)4/h5-14,17H,15-16,18H2,1-4H3,(H,28,29)
InChIKeyKVJIICFGGILFJR-UHFFFAOYSA-N
XLogP6.57
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718574) is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)cc1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KVJIICFGGILFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2Si/c1-32-21-12-9-19(10-13-21)20-11-14-25-22(17-20)26(27-28-23-7-5-6-8-24(23)29-27)30-31(25)18-33-15-16-34(2,3)4/h5-14,17H,15-16,18H2,1-4H3,(H,28,29).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 470.65 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).