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

C49H32Cl3F3N8 — CID 159608397

IUPAC6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESClc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Cl)n3)[nH]2)c1.FC(F)(F)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Cl)n3)[nH]2)c1
InChIInChI=1S/C25H16ClF3N4.C24H16Cl2N4/c26-21-8-2-7-20(31-21)24-23(17-9-10-19-16(14-17)5-3-11-30-19)32-22(33-24)13-15-4-1-6-18(12-15)25(27,28)29;25-18-6-1-4-15(12-18)13-22-29-23(24(30-22)20-7-2-8-21(26)28-20)17-9-10-19-16(14-17)5-3-11-27-19/h1-12,14H,13H2,(H,32,33);1-12,14H,13H2,(H,29,30)
InChIKeyMMJDZFRHVFUFBV-UHFFFAOYSA-N
MW896.20 g/mol
LogP13.53
Rot. Bonds8

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

6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 159608397) has the molecular formula C49H32Cl3F3N8 and a molecular weight of 896.20 g/mol. Its IUPAC name is 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
PubChem CID159608397
Molecular FormulaC49H32Cl3F3N8
Molecular Weight896.20 g/mol
Exact Mass894.18
IUPAC Name6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESClc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Cl)n3)[nH]2)c1.FC(F)(F)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Cl)n3)[nH]2)c1
InChIInChI=1S/C25H16ClF3N4.C24H16Cl2N4/c26-21-8-2-7-20(31-21)24-23(17-9-10-19-16(14-17)5-3-11-30-19)32-22(33-24)13-15-4-1-6-18(12-15)25(27,28)29;25-18-6-1-4-15(12-18)13-22-29-23(24(30-22)20-7-2-8-21(26)28-20)17-9-10-19-16(14-17)5-3-11-27-19/h1-12,14H,13H2,(H,32,33);1-12,14H,13H2,(H,29,30)
InChIKeyMMJDZFRHVFUFBV-UHFFFAOYSA-N
XLogP13.53
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.20
LogP ≤ 513.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[4-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
CID 142752029
6-[5-(3-Chlorophenyl)-2-methyl-1H-imidazol-4-yl]quinoline
CID 122510457
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-8-[(3-chloroquinolin-6-yl)methyl]-7H-purin-6-amine
CID 124183501
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-8-[(3-chloroquinolin-6-yl)methyl]-7H-purin-6-amine
CID 124183539
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-8-[[3-(trifluoromethyl)quinolin-6-yl]methyl]-7H-purin-6-amine
CID 124184073
6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline
CID 66573861
N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine
CID 22478377
7-(3-chloropyridin-2-yl)-2-(imidazol-1-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537166
6-chloro-2-(4-piperazin-1-ylphenyl)-7-[4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 25152987
6-[2-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 44517806
6-[2-[(2,3-difluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 44545504
6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline
CID 44545505

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 159608397) is 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is Clc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Cl)n3)[nH]2)c1.FC(F)(F)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Cl)n3)[nH]2)c1.
What is the InChIKey of 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The InChIKey is MMJDZFRHVFUFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF3N4.C24H16Cl2N4/c26-21-8-2-7-20(31-21)24-23(17-9-10-19-16(14-17)5-3-11-30-19)32-22(33-24)13-15-4-1-6-18(12-15)25(27,28)29;25-18-6-1-4-15(12-18)13-22-29-23(24(30-22)20-7-2-8-21(26)28-20)17-9-10-19-16(14-17)5-3-11-27-19/h1-12,14H,13H2,(H,32,33);1-12,14H,13H2,(H,29,30).
What are the key properties of 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline has a molecular weight of 896.20 g/mol, XLogP of 13.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-chlorophenyl)methyl]-5-(6-chloro-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-chloro-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 159608397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).