(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane

C18H26BrFN2OSi — CID 153446322

IUPAC(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1CCC1
InChIInChI=1S/C18H26BrFN2OSi/c1-18(2,3)24(4,5)23-11-16-21-17-14(20)9-12(19)10-15(17)22(16)13-7-6-8-13/h9-10,13H,6-8,11H2,1-5H3
InChIKeyHPZNTHSUFOIKDU-UHFFFAOYSA-N
MW413.41 g/mol
LogP6.18
Rot. Bonds4

About (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane

(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 153446322) has the molecular formula C18H26BrFN2OSi and a molecular weight of 413.41 g/mol. Its IUPAC name is (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID153446322
Molecular FormulaC18H26BrFN2OSi
Molecular Weight413.41 g/mol
Exact Mass412.10
IUPAC Name(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1CCC1
InChIInChI=1S/C18H26BrFN2OSi/c1-18(2,3)24(4,5)23-11-16-21-17-14(20)9-12(19)10-15(17)22(16)13-7-6-8-13/h9-10,13H,6-8,11H2,1-5H3
InChIKeyHPZNTHSUFOIKDU-UHFFFAOYSA-N
XLogP6.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 56.18
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-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane (CID 153446322) is (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1nc2c(F)cc(Br)cc2n1C1CCC1.
What is the InChIKey of (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is HPZNTHSUFOIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrFN2OSi/c1-18(2,3)24(4,5)23-11-16-21-17-14(20)9-12(19)10-15(17)22(16)13-7-6-8-13/h9-10,13H,6-8,11H2,1-5H3.
What are the key properties of (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane?
(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 413.41 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 153446322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).