[6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane

C17H24BrFN2O2Si — CID 155639721

IUPAC[6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1COC1
InChIInChI=1S/C17H24BrFN2O2Si/c1-17(2,3)24(4,5)23-10-15-20-16-13(19)6-11(18)7-14(16)21(15)12-8-22-9-12/h6-7,12H,8-10H2,1-5H3
InChIKeyMQMFLSARIKOBQQ-UHFFFAOYSA-N
MW415.38 g/mol
LogP5.03
Rot. Bonds4

About [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane

[6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 155639721) has the molecular formula C17H24BrFN2O2Si and a molecular weight of 415.38 g/mol. Its IUPAC name is [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID155639721
Molecular FormulaC17H24BrFN2O2Si
Molecular Weight415.38 g/mol
Exact Mass414.08
IUPAC Name[6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1COC1
InChIInChI=1S/C17H24BrFN2O2Si/c1-17(2,3)24(4,5)23-10-15-20-16-13(19)6-11(18)7-14(16)21(15)12-8-22-9-12/h6-7,12H,8-10H2,1-5H3
InChIKeyMQMFLSARIKOBQQ-UHFFFAOYSA-N
XLogP5.03
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane (CID 155639721) is [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1COC1.
What is the InChIKey of [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is MQMFLSARIKOBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O2Si/c1-17(2,3)24(4,5)23-10-15-20-16-13(19)6-11(18)7-14(16)21(15)12-8-22-9-12/h6-7,12H,8-10H2,1-5H3.
What are the key properties of [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
[6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 415.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 155639721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).