6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline

C50H38ClF3N10O2 — CID 158440389

IUPAC6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCOc1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)cc1Cl.Cc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H20ClN5O.C25H18F3N5O/c1-15-4-3-5-20(29-15)25-24(17-7-8-19-21(14-17)28-11-10-27-19)30-23(31-25)13-16-6-9-22(32-2)18(26)12-16;1-15-3-2-4-20(31-15)24-23(17-7-10-19-21(14-17)30-12-11-29-19)32-22(33-24)13-16-5-8-18(9-6-16)34-25(26,27)28/h3-12,14H,13H2,1-2H3,(H,30,31);2-12,14H,13H2,1H3,(H,32,33)
InChIKeyHCSZKQYKJFVQJL-UHFFFAOYSA-N
MW903.37 g/mol
LogP11.52
Rot. Bonds10

About 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline

6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (PubChem CID 158440389) has the molecular formula C50H38ClF3N10O2 and a molecular weight of 903.37 g/mol. Its IUPAC name is 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
PubChem CID158440389
Molecular FormulaC50H38ClF3N10O2
Molecular Weight903.37 g/mol
Exact Mass902.28
IUPAC Name6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCOc1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)cc1Cl.Cc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H20ClN5O.C25H18F3N5O/c1-15-4-3-5-20(29-15)25-24(17-7-8-19-21(14-17)28-11-10-27-19)30-23(31-25)13-16-6-9-22(32-2)18(26)12-16;1-15-3-2-4-20(31-15)24-23(17-7-10-19-21(14-17)30-12-11-29-19)32-22(33-24)13-16-5-8-18(9-6-16)34-25(26,27)28/h3-12,14H,13H2,1-2H3,(H,30,31);2-12,14H,13H2,1H3,(H,32,33)
InChIKeyHCSZKQYKJFVQJL-UHFFFAOYSA-N
XLogP11.52
TPSA153.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.37
LogP ≤ 511.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline with MolForge

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Related Compounds

6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
CID 44545648
6-[5-(6-methylpyridin-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
CID 44545725
3-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
CID 118094958
6-(benzimidazol-1-yl)-N-(4-iodophenyl)pyrazin-2-amine;3-[6-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 118095053
6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methylpyridin-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 157199284
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 158445648
1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 158811812
N-(3-chloro-4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 159398192
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline
CID 159857504
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 160181160
2-chloro-4-(2,3-dimethylbutyl)-1-fluorobenzene;4-(2,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;3-(2,3-dimethylbutyl)-5-fluoropyridine;4-(2,3-dimethylbutyl)-2-fluoro-1-(trifluoromethoxy)benzene;3-(2,3-dimethylbutyl)isoquinoline;2-(2,3-dimethylbutyl)pyrazine;3-(2,3-dimethylbutyl)-1H-pyrrolo[2,3-b]pyridine;2-(2,3-dimethylbutyl)quinoxaline;3-(2,3-dimethylbutyl)-5-(trifluoromethyl)pyridine;4-(2-ethyl-3-methylbutyl)-2-fluoro-1-(trifluoromethoxy)benzene;2-fluoro-1-methoxy-4-propylbenzene;1-methoxy-4-propylbenzene;2-methylpropylbenzene;1-propylindole
CID 160220094
6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methylpyridin-2-yl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline
CID 160589006

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The IUPAC name of 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (CID 158440389) is 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The canonical SMILES for 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline is COc1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)cc1Cl.Cc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The InChIKey is HCSZKQYKJFVQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O.C25H18F3N5O/c1-15-4-3-5-20(29-15)25-24(17-7-8-19-21(14-17)28-11-10-27-19)30-23(31-25)13-16-6-9-22(32-2)18(26)12-16;1-15-3-2-4-20(31-15)24-23(17-7-10-19-21(14-17)30-12-11-29-19)32-22(33-24)13-16-5-8-18(9-6-16)34-25(26,27)28/h3-12,14H,13H2,1-2H3,(H,30,31);2-12,14H,13H2,1H3,(H,32,33).
What are the key properties of 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline has a molecular weight of 903.37 g/mol, XLogP of 11.52, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline is sourced from PubChem (CID 158440389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).