2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane

C48H86Br2N8O4Si4 — CID 167576208

IUPAC2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(Br)c1C1CC1.C[Si](C)(C)CCOCn1cnc(C2CC2)c1.C[Si](C)(C)CCOCn1cnc(C2CC2)c1Br.C[Si](C)(C)CCOCn1cncc1C1CC1
InChIInChI=1S/2C12H21BrN2OSi.2C12H22N2OSi/c1-17(2,3)7-6-16-9-15-8-14-12(13)11(15)10-4-5-10;1-17(2,3)7-6-16-9-15-8-14-11(12(15)13)10-4-5-10;1-16(2,3)7-6-15-10-14-8-12(13-9-14)11-4-5-11;1-16(2,3)7-6-15-10-14-9-13-8-12(14)11-4-5-11/h2*8,10H,4-7,9H2,1-3H3;2*8-9,11H,4-7,10H2,1-3H3
InChIKeyGOJLXNXFBPGZMZ-UHFFFAOYSA-N
MW1111.42 g/mol
LogP13.82
Rot. Bonds24

About 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 167576208) has the molecular formula C48H86Br2N8O4Si4 and a molecular weight of 1111.42 g/mol. Its IUPAC name is 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID167576208
Molecular FormulaC48H86Br2N8O4Si4
Molecular Weight1111.42 g/mol
Exact Mass1108.42
IUPAC Name2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(Br)c1C1CC1.C[Si](C)(C)CCOCn1cnc(C2CC2)c1.C[Si](C)(C)CCOCn1cnc(C2CC2)c1Br.C[Si](C)(C)CCOCn1cncc1C1CC1
InChIInChI=1S/2C12H21BrN2OSi.2C12H22N2OSi/c1-17(2,3)7-6-16-9-15-8-14-12(13)11(15)10-4-5-10;1-17(2,3)7-6-16-9-15-8-14-11(12(15)13)10-4-5-10;1-16(2,3)7-6-15-10-14-8-12(13-9-14)11-4-5-11;1-16(2,3)7-6-15-10-14-9-13-8-12(14)11-4-5-11/h2*8,10H,4-7,9H2,1-3H3;2*8-9,11H,4-7,10H2,1-3H3
InChIKeyGOJLXNXFBPGZMZ-UHFFFAOYSA-N
XLogP13.82
TPSA108.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms66
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.42
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 167576208) is 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(Br)c1C1CC1.C[Si](C)(C)CCOCn1cnc(C2CC2)c1.C[Si](C)(C)CCOCn1cnc(C2CC2)c1Br.C[Si](C)(C)CCOCn1cncc1C1CC1.
What is the InChIKey of 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is GOJLXNXFBPGZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H21BrN2OSi.2C12H22N2OSi/c1-17(2,3)7-6-16-9-15-8-14-12(13)11(15)10-4-5-10;1-17(2,3)7-6-16-9-15-8-14-11(12(15)13)10-4-5-10;1-16(2,3)7-6-15-10-14-8-12(13-9-14)11-4-5-11;1-16(2,3)7-6-15-10-14-9-13-8-12(14)11-4-5-11/h2*8,10H,4-7,9H2,1-3H3;2*8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 1111.42 g/mol, XLogP of 13.82, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167576208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).