2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C24H23BrClF2N3OSi — CID 150732144

IUPAC2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2cc(Cl)c(F)cc2F)c1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C24H23BrClF2N3OSi/c1-33(2,3)7-6-32-14-31-13-30-23(18-10-19(26)21(28)11-20(18)27)24(31)15-4-5-22-16(8-15)9-17(25)12-29-22/h4-5,8-13H,6-7,14H2,1-3H3
InChIKeyJSBCJJZDPWCAOC-UHFFFAOYSA-N
MW550.91 g/mol
LogP7.77
Rot. Bonds7

About 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 150732144) has the molecular formula C24H23BrClF2N3OSi and a molecular weight of 550.91 g/mol. Its IUPAC name is 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID150732144
Molecular FormulaC24H23BrClF2N3OSi
Molecular Weight550.91 g/mol
Exact Mass549.05
IUPAC Name2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2cc(Cl)c(F)cc2F)c1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C24H23BrClF2N3OSi/c1-33(2,3)7-6-32-14-31-13-30-23(18-10-19(26)21(28)11-20(18)27)24(31)15-4-5-22-16(8-15)9-17(25)12-29-22/h4-5,8-13H,6-7,14H2,1-3H3
InChIKeyJSBCJJZDPWCAOC-UHFFFAOYSA-N
XLogP7.77
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.91
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150802438
5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine
CID 175826959
2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156686509
6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
CID 172562690
trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
CID 156686536
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 67280301
2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164594211
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 86688618

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 150732144) is 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2cc(Cl)c(F)cc2F)c1-c1ccc2ncc(Br)cc2c1.
What is the InChIKey of 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JSBCJJZDPWCAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClF2N3OSi/c1-33(2,3)7-6-32-14-31-13-30-23(18-10-19(26)21(28)11-20(18)27)24(31)15-4-5-22-16(8-15)9-17(25)12-29-22/h4-5,8-13H,6-7,14H2,1-3H3.
What are the key properties of 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 550.91 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 150732144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).