[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane

C18H24BrF3N2OSi — CID 153446323

IUPAC[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1CC(F)(F)C1
InChIInChI=1S/C18H24BrF3N2OSi/c1-17(2,3)26(4,5)25-10-15-23-16-13(20)6-11(19)7-14(16)24(15)12-8-18(21,22)9-12/h6-7,12H,8-10H2,1-5H3
InChIKeyRDTGDYQECKIMMX-UHFFFAOYSA-N
MW449.39 g/mol
LogP6.43
Rot. Bonds4

About [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane

[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 153446323) has the molecular formula C18H24BrF3N2OSi and a molecular weight of 449.39 g/mol. Its IUPAC name is [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID153446323
Molecular FormulaC18H24BrF3N2OSi
Molecular Weight449.39 g/mol
Exact Mass448.08
IUPAC Name[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1CC(F)(F)C1
InChIInChI=1S/C18H24BrF3N2OSi/c1-17(2,3)26(4,5)25-10-15-23-16-13(20)6-11(19)7-14(16)24(15)12-8-18(21,22)9-12/h6-7,12H,8-10H2,1-5H3
InChIKeyRDTGDYQECKIMMX-UHFFFAOYSA-N
XLogP6.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.39
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane (CID 153446323) is [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1CC(F)(F)C1.
What is the InChIKey of [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is RDTGDYQECKIMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrF3N2OSi/c1-17(2,3)26(4,5)25-10-15-23-16-13(20)6-11(19)7-14(16)24(15)12-8-18(21,22)9-12/h6-7,12H,8-10H2,1-5H3.
What are the key properties of [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane?
[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 449.39 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 153446323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).