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

C52H39F5N8O — CID 159857504

IUPAC6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1F.Cc1cccc(-c2[nH]c(Cc3ccc(F)c(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H18F4N4.C26H21FN4O/c1-15-4-2-6-22(32-15)25-24(18-8-10-21-17(14-18)5-3-11-31-21)33-23(34-25)13-16-7-9-20(27)19(12-16)26(28,29)30;1-16-5-3-7-22(29-16)26-25(19-9-10-21-18(15-19)6-4-12-28-21)30-24(31-26)14-17-8-11-23(32-2)20(27)13-17/h2-12,14H,13H2,1H3,(H,33,34);3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyNQSFDZLHKVZYAX-UHFFFAOYSA-N
MW886.93 g/mol
LogP12.48
Rot. Bonds9

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

6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 159857504) has the molecular formula C52H39F5N8O and a molecular weight of 886.93 g/mol. Its IUPAC name is 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID159857504
Molecular FormulaC52H39F5N8O
Molecular Weight886.93 g/mol
Exact Mass886.32
IUPAC Name6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1F.Cc1cccc(-c2[nH]c(Cc3ccc(F)c(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H18F4N4.C26H21FN4O/c1-15-4-2-6-22(32-15)25-24(18-8-10-21-17(14-18)5-3-11-31-21)33-23(34-25)13-16-7-9-20(27)19(12-16)26(28,29)30;1-16-5-3-7-22(29-16)26-25(19-9-10-21-18(15-19)6-4-12-28-21)30-24(31-26)14-17-8-11-23(32-2)20(27)13-17/h2-12,14H,13H2,1H3,(H,33,34);3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyNQSFDZLHKVZYAX-UHFFFAOYSA-N
XLogP12.48
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.93
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-Methoxybenzyl-[4-[2-piperidin-4-yl-5-(3-trifluoromethylphenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl]amine
CID 10529636
4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 72194540
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenylmethoxyphenyl)-9H-pyrido[2,3-b]indole
CID 72194541
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenoxyphenyl)-9H-pyrido[2,3-b]indole
CID 90013773
1-(4-methoxyphenyl)-2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168278844
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-trifluoromethoxy-benzamidine
CID 44385504
4-[4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 71451911
[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]methanone
CID 156018212
4-[(E)-1-(2-methoxyphenyl)prop-1-en-2-yl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 72195195
3-(4-methoxyphenyl)-4-(4-{4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}piperidin-1-yl)pyridine
CID 89445588
4-[7-Fluoro-8-[2-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-methylimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxamide
CID 117890474
4-[5-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413933

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 159857504) is 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is COc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1F.Cc1cccc(-c2[nH]c(Cc3ccc(F)c(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is NQSFDZLHKVZYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N4.C26H21FN4O/c1-15-4-2-6-22(32-15)25-24(18-8-10-21-17(14-18)5-3-11-31-21)33-23(34-25)13-16-7-9-20(27)19(12-16)26(28,29)30;1-16-5-3-7-22(29-16)26-25(19-9-10-21-18(15-19)6-4-12-28-21)30-24(31-26)14-17-8-11-23(32-2)20(27)13-17/h2-12,14H,13H2,1H3,(H,33,34);3-13,15H,14H2,1-2H3,(H,30,31).
What are the key properties of 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 886.93 g/mol, XLogP of 12.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 159857504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).