2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane

C25H27ClN6O2Si — CID 86614102

IUPAC2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(-n3cnc4ccc(OCc5ccccc5)cc43)nc(Cl)nc21
InChIInChI=1S/C25H27ClN6O2Si/c1-35(2,3)12-11-33-17-31-15-28-22-23(31)29-25(26)30-24(22)32-16-27-20-10-9-19(13-21(20)32)34-14-18-7-5-4-6-8-18/h4-10,13,15-16H,11-12,14,17H2,1-3H3
InChIKeyMAZWGJNZZWDXJK-UHFFFAOYSA-N
MW507.07 g/mol
LogP5.71
Rot. Bonds9

About 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane

2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86614102) has the molecular formula C25H27ClN6O2Si and a molecular weight of 507.07 g/mol. Its IUPAC name is 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
PubChem CID86614102
Molecular FormulaC25H27ClN6O2Si
Molecular Weight507.07 g/mol
Exact Mass506.17
IUPAC Name2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(-n3cnc4ccc(OCc5ccccc5)cc43)nc(Cl)nc21
InChIInChI=1S/C25H27ClN6O2Si/c1-35(2,3)12-11-33-17-31-15-28-22-23(31)29-25(26)30-24(22)32-16-27-20-10-9-19(13-21(20)32)34-14-18-7-5-4-6-8-18/h4-10,13,15-16H,11-12,14,17H2,1-3H3
InChIKeyMAZWGJNZZWDXJK-UHFFFAOYSA-N
XLogP5.71
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.07
LogP ≤ 55.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane (CID 86614102) is 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc2c(-n3cnc4ccc(OCc5ccccc5)cc43)nc(Cl)nc21.
What is the InChIKey of 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MAZWGJNZZWDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2Si/c1-35(2,3)12-11-33-17-31-15-28-22-23(31)29-25(26)30-24(22)32-16-27-20-10-9-19(13-21(20)32)34-14-18-7-5-4-6-8-18/h4-10,13,15-16H,11-12,14,17H2,1-3H3.
What are the key properties of 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 507.07 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86614102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).