2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C36H52Br2Cl2N4O4Si2 — CID 157058148

IUPAC2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(CCl)nc2cc(Br)c(OCC3CC3)cc21.C[Si](C)(C)CCOCn1c(CCl)nc2cc(OCC3CC3)c(Br)cc21
InChIInChI=1S/2C18H26BrClN2O2Si/c1-25(2,3)7-6-23-12-22-16-8-14(19)17(24-11-13-4-5-13)9-15(16)21-18(22)10-20;1-25(2,3)7-6-23-12-22-16-9-17(24-11-13-4-5-13)14(19)8-15(16)21-18(22)10-20/h2*8-9,13H,4-7,10-12H2,1-3H3
InChIKeyAAZQHJLNSVTWER-UHFFFAOYSA-N
MW891.72 g/mol
LogP11.28
Rot. Bonds18

About 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157058148) has the molecular formula C36H52Br2Cl2N4O4Si2 and a molecular weight of 891.72 g/mol. Its IUPAC name is 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID157058148
Molecular FormulaC36H52Br2Cl2N4O4Si2
Molecular Weight891.72 g/mol
Exact Mass888.13
IUPAC Name2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(CCl)nc2cc(Br)c(OCC3CC3)cc21.C[Si](C)(C)CCOCn1c(CCl)nc2cc(OCC3CC3)c(Br)cc21
InChIInChI=1S/2C18H26BrClN2O2Si/c1-25(2,3)7-6-23-12-22-16-8-14(19)17(24-11-13-4-5-13)9-15(16)21-18(22)10-20;1-25(2,3)7-6-23-12-22-16-9-17(24-11-13-4-5-13)14(19)8-15(16)21-18(22)10-20/h2*8-9,13H,4-7,10-12H2,1-3H3
InChIKeyAAZQHJLNSVTWER-UHFFFAOYSA-N
XLogP11.28
TPSA72.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.72
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 157058148) is 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(CCl)nc2cc(Br)c(OCC3CC3)cc21.C[Si](C)(C)CCOCn1c(CCl)nc2cc(OCC3CC3)c(Br)cc21.
What is the InChIKey of 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AAZQHJLNSVTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26BrClN2O2Si/c1-25(2,3)7-6-23-12-22-16-8-14(19)17(24-11-13-4-5-13)9-15(16)21-18(22)10-20;1-25(2,3)7-6-23-12-22-16-9-17(24-11-13-4-5-13)14(19)8-15(16)21-18(22)10-20/h2*8-9,13H,4-7,10-12H2,1-3H3.
What are the key properties of 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 891.72 g/mol, XLogP of 11.28, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157058148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).