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

C28H32N4O2Si — CID 135718573

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1C
InChIInChI=1S/C28H32N4O2Si/c1-19-21(9-8-12-26(19)33-2)20-13-14-25-22(17-20)27(28-29-23-10-6-7-11-24(23)30-28)31-32(25)18-34-15-16-35(3,4)5/h6-14,17H,15-16,18H2,1-5H3,(H,29,30)
InChIKeyXNGNEHRFVMYLCY-UHFFFAOYSA-N
MW484.68 g/mol
LogP6.88
Rot. Bonds8

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

2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718573) has the molecular formula C28H32N4O2Si and a molecular weight of 484.68 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135718573
Molecular FormulaC28H32N4O2Si
Molecular Weight484.68 g/mol
Exact Mass484.23
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1C
InChIInChI=1S/C28H32N4O2Si/c1-19-21(9-8-12-26(19)33-2)20-13-14-25-22(17-20)27(28-29-23-10-6-7-11-24(23)30-28)31-32(25)18-34-15-16-35(3,4)5/h6-14,17H,15-16,18H2,1-5H3,(H,29,30)
InChIKeyXNGNEHRFVMYLCY-UHFFFAOYSA-N
XLogP6.88
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 56.88
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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Related Compounds

CID 135928479
CID 135928479
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CID 73057762
CID 73057762
CID 162679641
CID 162679641
CID 146167584
CID 146167584
CID 146167606
CID 146167606
CID 156580073
CID 156580073
CID 135718570
CID 135718570
CID 135718571
CID 135718571
CID 135718572
CID 135718572
CID 135804566
CID 135804566
CID 135804662
CID 135804662

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718573) is 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1C.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XNGNEHRFVMYLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2Si/c1-19-21(9-8-12-26(19)33-2)20-13-14-25-22(17-20)27(28-29-23-10-6-7-11-24(23)30-28)31-32(25)18-34-15-16-35(3,4)5/h6-14,17H,15-16,18H2,1-5H3,(H,29,30).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 484.68 g/mol, XLogP of 6.88, 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-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).