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

C24H24BrF2N3OSi — CID 151533161

IUPAC2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H24BrF2N3OSi/c1-32(2,3)9-8-31-15-30-14-29-23(24(30)17-4-6-20(26)21(27)12-17)16-5-7-22-18(10-16)11-19(25)13-28-22/h4-7,10-14H,8-9,15H2,1-3H3
InChIKeyPWXCPLOWSDDQQX-UHFFFAOYSA-N
MW516.46 g/mol
LogP7.12
Rot. Bonds7

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

2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151533161) has the molecular formula C24H24BrF2N3OSi and a molecular weight of 516.46 g/mol. Its IUPAC name is 2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID151533161
Molecular FormulaC24H24BrF2N3OSi
Molecular Weight516.46 g/mol
Exact Mass515.08
IUPAC Name2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H24BrF2N3OSi/c1-32(2,3)9-8-31-15-30-14-29-23(24(30)17-4-6-20(26)21(27)12-17)16-5-7-22-18(10-16)11-19(25)13-28-22/h4-7,10-14H,8-9,15H2,1-3H3
InChIKeyPWXCPLOWSDDQQX-UHFFFAOYSA-N
XLogP7.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.46
LogP ≤ 57.12
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 151533161) is 2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PWXCPLOWSDDQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrF2N3OSi/c1-32(2,3)9-8-31-15-30-14-29-23(24(30)17-4-6-20(26)21(27)12-17)16-5-7-22-18(10-16)11-19(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-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 516.46 g/mol, XLogP of 7.12, 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-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151533161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).