4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole

C75H59F3N12OS3 — CID 167708630

About 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole

4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole (PubChem CID 167708630) has the molecular formula C75H59F3N12OS3 and a molecular weight of 1297.57 g/mol. Its IUPAC name is 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
• PubChem CID: 167708630
• Molecular Formula: C75H59F3N12OS3
• Molecular Weight: 1297.57 g/mol
• Exact Mass: 1296.40
• IUPAC Name: 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
• SMILES: COc1ccc(-c2nc(C)sc2-c2ccc3nccnc3c2)cc1.Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nccnc3c2)s1.Cc1nc(-c2cccc(F)c2)c(-c2ccc3nccnc3c2)s1.Fc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccncc2)cc1
• InChI: InChI=1S/C20H20FN3.C19H15N3OS.2C18H12FN3S/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16;1-12-22-18(13-3-6-15(23-2)7-4-13)19(24-12)14-5-8-16-17(11-14)21-10-9-20-16;1-11-22-17(12-2-5-14(19)6-3-12)18(23-11)13-4-7-15-16(10-13)21-9-8-20-15;1-11-22-17(12-3-2-4-14(19)9-12)18(23-11)13-5-6-15-16(10-13)21-8-7-20-15/h6-13,16H,1-5H2,(H,23,24);3-11H,1-2H3;2*2-10H,1H3
• InChIKey: ZMHMPAFJTJTAHR-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 166.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.57
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?

The IUPAC name of 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole (CID 167708630) is 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole.

What is the SMILES notation for 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?

The canonical SMILES for 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole is COc1ccc(-c2nc(C)sc2-c2ccc3nccnc3c2)cc1.Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nccnc3c2)s1.Cc1nc(-c2cccc(F)c2)c(-c2ccc3nccnc3c2)s1.Fc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccncc2)cc1.

What is the InChIKey of 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?

The InChIKey is ZMHMPAFJTJTAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3.C19H15N3OS.2C18H12FN3S/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16;1-12-22-18(13-3-6-15(23-2)7-4-13)19(24-12)14-5-8-16-17(11-14)21-10-9-20-16;1-11-22-17(12-2-5-14(19)6-3-12)18(23-11)13-4-7-15-16(10-13)21-9-8-20-15;1-11-22-17(12-3-2-4-14(19)9-12)18(23-11)13-5-6-15-16(10-13)21-8-7-20-15/h6-13,16H,1-5H2,(H,23,24);3-11H,1-2H3;2*2-10H,1H3.

What are the key properties of 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole?

4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole has a molecular weight of 1297.57 g/mol, XLogP of 19.80, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;4-(4-methoxyphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole is sourced from PubChem (CID 167708630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).