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

C52H40ClF3N8O2 — CID 157199284

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

6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 157199284) has the molecular formula C52H40ClF3N8O2 and a molecular weight of 901.39 g/mol. Its IUPAC name is 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

• Compound Name: 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
• PubChem CID: 157199284
• Molecular Formula: C52H40ClF3N8O2
• Molecular Weight: 901.39 g/mol
• Exact Mass: 900.29
• IUPAC Name: 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
• SMILES: COc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1Cl.Cc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3ncccc3c2)n1
• InChI: InChI=1S/C26H21ClN4O.C26H19F3N4O/c1-16-5-3-7-22(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;1-16-4-2-6-22(31-16)25-24(19-9-12-21-18(15-19)5-3-13-30-21)32-23(33-25)14-17-7-10-20(11-8-17)34-26(27,28)29/h3-13,15H,14H2,1-2H3,(H,30,31);2-13,15H,14H2,1H3,(H,32,33)
• InChIKey: AQPOIBIHVYARJG-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 127.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.39
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

The IUPAC name of 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 157199284) is 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

What is the SMILES notation for 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

The canonical SMILES for 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is COc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)cc1Cl.Cc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3ncccc3c2)n1.

What is the InChIKey of 6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

The InChIKey is AQPOIBIHVYARJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O.C26H19F3N4O/c1-16-5-3-7-22(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;1-16-4-2-6-22(31-16)25-24(19-9-12-21-18(15-19)5-3-13-30-21)32-23(33-25)14-17-7-10-20(11-8-17)34-26(27,28)29/h3-13,15H,14H2,1-2H3,(H,30,31);2-13,15H,14H2,1H3,(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]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

6-[2-[(3-chloro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline has a molecular weight of 901.39 g/mol, XLogP of 12.73, 10 rotatable bonds, 2 hydrogen bond donors, and 8 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]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 157199284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).