6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline

C56H41F4N9O — CID 160589006

IUPAC6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3F)nc2-c2ccc3ncccc3c2)n1.Cc1cccc(-c2[nH]c(Cc3cccc(Oc4ccccc4)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C30H23N5O.C26H18F4N4/c1-20-7-5-12-26(33-20)30-29(22-13-14-25-27(19-22)32-16-15-31-25)34-28(35-30)18-21-8-6-11-24(17-21)36-23-9-3-2-4-10-23;1-15-5-2-9-21(32-15)25-24(18-10-11-20-16(13-18)7-4-12-31-20)33-22(34-25)14-17-6-3-8-19(23(17)27)26(28,29)30/h2-17,19H,18H2,1H3,(H,34,35);2-13H,14H2,1H3,(H,33,34)
InChIKeyRCTMDNRTNONOSN-UHFFFAOYSA-N
MW932.00 g/mol
LogP13.52
Rot. Bonds10

About 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline

6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline (PubChem CID 160589006) has the molecular formula C56H41F4N9O and a molecular weight of 932.00 g/mol. Its IUPAC name is 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline
PubChem CID160589006
Molecular FormulaC56H41F4N9O
Molecular Weight932.00 g/mol
Exact Mass931.34
IUPAC Name6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3F)nc2-c2ccc3ncccc3c2)n1.Cc1cccc(-c2[nH]c(Cc3cccc(Oc4ccccc4)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C30H23N5O.C26H18F4N4/c1-20-7-5-12-26(33-20)30-29(22-13-14-25-27(19-22)32-16-15-31-25)34-28(35-30)18-21-8-6-11-24(17-21)36-23-9-3-2-4-10-23;1-15-5-2-9-21(32-15)25-24(18-10-11-20-16(13-18)7-4-12-31-20)33-22(34-25)14-17-6-3-8-19(23(17)27)26(28,29)30/h2-17,19H,18H2,1H3,(H,34,35);2-13H,14H2,1H3,(H,33,34)
InChIKeyRCTMDNRTNONOSN-UHFFFAOYSA-N
XLogP13.52
TPSA131.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.00
LogP ≤ 513.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline with MolForge

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Related Compounds

4-(6-methoxypyridin-3-yl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11534687
4-(3-(trifluoromethoxy)phenyl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]-imidazole
CID 11534895
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-9H-pyrido[2,3-b]indole
CID 72194677
6-fluoro-4-[[(1R,5S)-6-[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propyl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318346
6-fluoro-4-(((1R,3s,5S,6r)-6-(1-(5-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-ethyl)bicyclo[3.1.0]hexan-3-yl)oxy)quinoline
CID 146318473
2-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 137645058
7-[(E)-2-[1-[3-[4-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-3-methylphenoxy]propyl]-2,6-dimethylpyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2,2,2-trifluoroacetate
CID 156009714
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-amine;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 172055260
1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
CID 22040365
N-[4-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine
CID 24983278
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 44545506
6-[5-(6-methylpyridin-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 44545508

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline?
The IUPAC name of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline (CID 160589006) is 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline?
The canonical SMILES for 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline is Cc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3F)nc2-c2ccc3ncccc3c2)n1.Cc1cccc(-c2[nH]c(Cc3cccc(Oc4ccccc4)c3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline?
The InChIKey is RCTMDNRTNONOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O.C26H18F4N4/c1-20-7-5-12-26(33-20)30-29(22-13-14-25-27(19-22)32-16-15-31-25)34-28(35-30)18-21-8-6-11-24(17-21)36-23-9-3-2-4-10-23;1-15-5-2-9-21(32-15)25-24(18-10-11-20-16(13-18)7-4-12-31-20)33-22(34-25)14-17-6-3-8-19(23(17)27)26(28,29)30/h2-17,19H,18H2,1H3,(H,34,35);2-13H,14H2,1H3,(H,33,34).
What are the key properties of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline?
6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline has a molecular weight of 932.00 g/mol, XLogP of 13.52, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline is sourced from PubChem (CID 160589006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).