3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C66H62Br3Cl3N9O2Si2+ — CID 160821094

IUPAC3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC[n+]1c[nH]c(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cccc(Cl)c1.Clc1cccc(-c2nc[nH]c2-c2ccc3ncc(Br)cc3c2)c1
InChIInChI=1S/2C24H25BrClN3OSi.C18H11BrClN3/c1-31(2,3)10-9-30-16-29-15-28-23(24(29)18-5-4-6-21(26)13-18)17-7-8-22-19(11-17)12-20(25)14-27-22;1-31(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;19-14-7-13-6-12(4-5-16(13)21-9-14)18-17(22-10-23-18)11-2-1-3-15(20)8-11/h2*4-8,11-15H,9-10,16H2,1-3H3;1-10H,(H,22,23)/p+1
InChIKeyVSCGUPBPNCJAJS-UHFFFAOYSA-O
MW1415.53 g/mol
LogP20.11
Rot. Bonds16

About 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 160821094) has the molecular formula C66H62Br3Cl3N9O2Si2+ and a molecular weight of 1415.53 g/mol. Its IUPAC name is 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID160821094
Molecular FormulaC66H62Br3Cl3N9O2Si2+
Molecular Weight1415.53 g/mol
Exact Mass1410.12
IUPAC Name3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC[n+]1c[nH]c(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cccc(Cl)c1.Clc1cccc(-c2nc[nH]c2-c2ccc3ncc(Br)cc3c2)c1
InChIInChI=1S/2C24H25BrClN3OSi.C18H11BrClN3/c1-31(2,3)10-9-30-16-29-15-28-23(24(29)18-5-4-6-21(26)13-18)17-7-8-22-19(11-17)12-20(25)14-27-22;1-31(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;19-14-7-13-6-12(4-5-16(13)21-9-14)18-17(22-10-23-18)11-2-1-3-15(20)8-11/h2*4-8,11-15H,9-10,16H2,1-3H3;1-10H,(H,22,23)/p+1
InChIKeyVSCGUPBPNCJAJS-UHFFFAOYSA-O
XLogP20.11
TPSA123.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.53
LogP ≤ 520.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

6-[5-(6-bromopyridin-2-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methylpyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 157304392
2-[[4-(3-Bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150208825
2-[[5-(3-Bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151759975
2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane
CID 153506258
CID 153609487
CID 153609487
2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 157228835
2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 157498545
2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2-fluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-4-yl]-3-piperazin-1-ylquinoline
CID 157592044
3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(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
CID 157685313
7-bromo-2-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridine;2-[[4-(7-bromo-1,5-naphthyridin-2-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157965394
3-bromo-6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(3-bromoquinolin-6-yl)-4-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 158740217
2-[[4-(3-bromoquinolin-6-yl)-5-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 158801790

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 160821094) is 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOC[n+]1c[nH]c(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1cccc(Cl)c1.Clc1cccc(-c2nc[nH]c2-c2ccc3ncc(Br)cc3c2)c1.
What is the InChIKey of 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VSCGUPBPNCJAJS-UHFFFAOYSA-O. The full InChI is InChI=1S/2C24H25BrClN3OSi.C18H11BrClN3/c1-31(2,3)10-9-30-16-29-15-28-23(24(29)18-5-4-6-21(26)13-18)17-7-8-22-19(11-17)12-20(25)14-27-22;1-31(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;19-14-7-13-6-12(4-5-16(13)21-9-14)18-17(22-10-23-18)11-2-1-3-15(20)8-11/h2*4-8,11-15H,9-10,16H2,1-3H3;1-10H,(H,22,23)/p+1.
What are the key properties of 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1415.53 g/mol, XLogP of 20.11, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]quinoline;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)-1H-imidazol-3-ium-3-yl]methoxy]ethyl-trimethylsilane;2-[[4-(3-bromoquinolin-6-yl)-5-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 160821094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).