2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C23H23BrClFN4OSi — CID 150070502

IUPAC2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3n2)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C23H23BrClFN4OSi/c1-32(2,3)9-8-31-14-30-13-28-22(23(30)17-11-16(25)4-5-18(17)26)20-7-6-19-21(29-20)10-15(24)12-27-19/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyDPECCZGILSEWJU-UHFFFAOYSA-N
MW533.91 g/mol
LogP7.03
Rot. Bonds7

About 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 150070502) has the molecular formula C23H23BrClFN4OSi and a molecular weight of 533.91 g/mol. Its IUPAC name is 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID150070502
Molecular FormulaC23H23BrClFN4OSi
Molecular Weight533.91 g/mol
Exact Mass532.05
IUPAC Name2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3n2)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C23H23BrClFN4OSi/c1-32(2,3)9-8-31-14-30-13-28-22(23(30)17-11-16(25)4-5-18(17)26)20-7-6-19-21(29-20)10-15(24)12-27-19/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyDPECCZGILSEWJU-UHFFFAOYSA-N
XLogP7.03
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.91
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 150070502) is 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3n2)c1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DPECCZGILSEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrClFN4OSi/c1-32(2,3)9-8-31-14-30-13-28-22(23(30)17-11-16(25)4-5-18(17)26)20-7-6-19-21(29-20)10-15(24)12-27-19/h4-7,10-13H,8-9,14H2,1-3H3.
What are the key properties of 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 533.91 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 150070502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).