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

C24H24BrClFN3OSi — CID 150802438

IUPAC2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C24H24BrClFN3OSi/c1-32(2,3)9-8-31-15-30-14-29-23(24(30)20-12-19(26)5-6-21(20)27)16-4-7-22-17(10-16)11-18(25)13-28-22/h4-7,10-14H,8-9,15H2,1-3H3
InChIKeyKGDPWTPSOLXXFG-UHFFFAOYSA-N
MW532.92 g/mol
LogP7.63
Rot. Bonds7

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

2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 150802438) has the molecular formula C24H24BrClFN3OSi and a molecular weight of 532.92 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID150802438
Molecular FormulaC24H24BrClFN3OSi
Molecular Weight532.92 g/mol
Exact Mass531.05
IUPAC Name2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)ccc1F
InChIInChI=1S/C24H24BrClFN3OSi/c1-32(2,3)9-8-31-15-30-14-29-23(24(30)20-12-19(26)5-6-21(20)27)16-4-7-22-17(10-16)11-18(25)13-28-22/h4-7,10-14H,8-9,15H2,1-3H3
InChIKeyKGDPWTPSOLXXFG-UHFFFAOYSA-N
XLogP7.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.92
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150732144
5-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,3-benzoxazol-2-amine
CID 175826959
3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline
CID 146662199
2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156686509
trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
CID 156686536
tert-butyl (2R)-4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,5-naphthyridin-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2,6-dimethylpiperazine-1-carboxylate
CID 175428318
2-[[5-cyclopropyl-4-(2,5-dichlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164851760
6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
CID 172562690
(2R)-4-[2-[[6-[5-(5-chloro-2-fluorophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1,5-naphthyridin-3-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 175428312
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 150802438) is 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KGDPWTPSOLXXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClFN3OSi/c1-32(2,3)9-8-31-15-30-14-29-23(24(30)20-12-19(26)5-6-21(20)27)16-4-7-22-17(10-16)11-18(25)13-28-22/h4-7,10-14H,8-9,15H2,1-3H3.
What are the key properties of 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 532.92 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 150802438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).