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

C24H25BrClN3OSi — CID 151759975

IUPAC2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C24H25BrClN3OSi/c1-31(2,3)10-9-30-16-29-15-28-23(17-5-4-6-21(26)13-17)24(29)18-7-8-22-19(11-18)12-20(25)14-27-22/h4-8,11-15H,9-10,16H2,1-3H3
InChIKeyRQIUAPRXKBOXHL-UHFFFAOYSA-N
MW514.93 g/mol
LogP7.49
Rot. Bonds7

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

2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151759975) has the molecular formula C24H25BrClN3OSi and a molecular weight of 514.93 g/mol. Its IUPAC name is 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID151759975
Molecular FormulaC24H25BrClN3OSi
Molecular Weight514.93 g/mol
Exact Mass513.06
IUPAC Name2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1
InChIInChI=1S/C24H25BrClN3OSi/c1-31(2,3)10-9-30-16-29-15-28-23(17-5-4-6-21(26)13-17)24(29)18-7-8-22-19(11-18)12-20(25)14-27-22/h4-8,11-15H,9-10,16H2,1-3H3
InChIKeyRQIUAPRXKBOXHL-UHFFFAOYSA-N
XLogP7.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.93
LogP ≤ 57.49
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-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 151759975) is 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1.
What is the InChIKey of 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RQIUAPRXKBOXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrClN3OSi/c1-31(2,3)10-9-30-16-29-15-28-23(17-5-4-6-21(26)13-17)24(29)18-7-8-22-19(11-18)12-20(25)14-27-22/h4-8,11-15H,9-10,16H2,1-3H3.
What are the key properties of 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 514.93 g/mol, XLogP of 7.49, 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-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151759975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).