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

C66H58Br3F6N9O2Si2 — CID 158740217

IUPAC3-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
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc(F)c(F)c2)c1-c1ccc2ncc(Br)cc2c1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1ccc(F)c(F)c1.Fc1ccc(-c2nc[nH]c2-c2ccc3ncc(Br)cc3c2)cc1F
InChIInChI=1S/2C24H24BrF2N3OSi.C18H10BrF2N3/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;1-32(2,3)9-8-31-15-30-14-29-23(16-4-6-20(26)21(27)12-16)24(30)17-5-7-22-18(10-17)11-19(25)13-28-22;19-13-6-12-5-10(2-4-16(12)22-8-13)17-18(24-9-23-17)11-1-3-14(20)15(21)7-11/h2*4-7,10-14H,8-9,15H2,1-3H3;1-9H,(H,23,24)
InChIKeyIMEUGJQJAPYHBS-UHFFFAOYSA-N
MW1419.12 g/mol
LogP19.57
Rot. Bonds16

About 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

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 (PubChem CID 158740217) has the molecular formula C66H58Br3F6N9O2Si2 and a molecular weight of 1419.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158740217
Molecular FormulaC66H58Br3F6N9O2Si2
Molecular Weight1419.12 g/mol
Exact Mass1415.17
IUPAC Name3-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
SMILESC[Si](C)(C)CCOCn1cnc(-c2ccc(F)c(F)c2)c1-c1ccc2ncc(Br)cc2c1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1ccc(F)c(F)c1.Fc1ccc(-c2nc[nH]c2-c2ccc3ncc(Br)cc3c2)cc1F
InChIInChI=1S/2C24H24BrF2N3OSi.C18H10BrF2N3/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;1-32(2,3)9-8-31-15-30-14-29-23(16-4-6-20(26)21(27)12-16)24(30)17-5-7-22-18(10-17)11-19(25)13-28-22;19-13-6-12-5-10(2-4-16(12)22-8-13)17-18(24-9-23-17)11-1-3-14(20)15(21)7-11/h2*4-7,10-14H,8-9,15H2,1-3H3;1-9H,(H,23,24)
InChIKeyIMEUGJQJAPYHBS-UHFFFAOYSA-N
XLogP19.57
TPSA121.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001419.12
LogP ≤ 519.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[[5-(3-Bromoquinolin-6-yl)-4-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 149824496
2-[[4-(3-Bromoquinolin-6-yl)-5-(3,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151533161
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea;bis(1-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea)
CID 157944624
6-[5-(6-bromopyridin-2-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromopyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 158008495
6-[2-[(3-bromophenyl)methyl]-5-(6-bromopyridin-2-yl)-1H-imidazol-4-yl]-2-methylquinoline;6-[5-(6-bromopyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]-2-methylquinoline;quinoline
CID 161307186
6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline
CID 145148967
6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline
CID 157447083
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
4-[2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;ethane-1,2-diamine;N-(2-fluoroethyl)-4-[2-[5-(4-isocyanophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-methylaniline;N-(2-fluoroethyl)-4-[2-[5-(4-isocyanophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-methylaniline;(4-isocyanophenyl)boronic acid
CID 157911732
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)CCOCn1cnc(-c2ccc(F)c(F)c2)c1-c1ccc2ncc(Br)cc2c1.C[Si](C)(C)CCOCn1cnc(-c2ccc3ncc(Br)cc3c2)c1-c1ccc(F)c(F)c1.Fc1ccc(-c2nc[nH]c2-c2ccc3ncc(Br)cc3c2)cc1F.
What is the InChIKey of 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?
The InChIKey is IMEUGJQJAPYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H24BrF2N3OSi.C18H10BrF2N3/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;1-32(2,3)9-8-31-15-30-14-29-23(16-4-6-20(26)21(27)12-16)24(30)17-5-7-22-18(10-17)11-19(25)13-28-22;19-13-6-12-5-10(2-4-16(12)22-8-13)17-18(24-9-23-17)11-1-3-14(20)15(21)7-11/h2*4-7,10-14H,8-9,15H2,1-3H3;1-9H,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 1419.12 g/mol, XLogP of 19.57, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158740217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).