8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)

C95H87ClF8N12 — CID 159423287

About 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)

8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline) (PubChem CID 159423287) has the molecular formula C95H87ClF8N12 and a molecular weight of 1584.26 g/mol. Its IUPAC name is 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline).

Molecular Properties

• Compound Name: 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)
• PubChem CID: 159423287
• Molecular Formula: C95H87ClF8N12
• Molecular Weight: 1584.26 g/mol
• Exact Mass: 1582.67
• IUPAC Name: 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)
• SMILES: Fc1cc2nc(CC3CCC(c4ccc(F)c5ncccc45)CC3)[nH]c2cc1F.Fc1cc2nc(CC3CCC(c4ccc(F)c5ncccc45)CC3)[nH]c2cc1F.Fc1ccc(C2CCC(Cc3nc4ccc(C5CC5)cc4[nH]3)CC2)c2cccnc12.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)c2ncccc12
• InChI: InChI=1S/C26H26FN3.C23H21ClFN3.2C23H20F3N3/c27-22-11-10-20(21-2-1-13-28-26(21)22)18-5-3-16(4-6-18)14-25-29-23-12-9-19(17-7-8-17)15-24(23)30-25;24-16-7-10-20-21(13-16)28-22(27-20)12-14-3-5-15(6-4-14)17-8-9-19(25)18-2-1-11-26-23(17)18;2*24-17-8-7-15(16-2-1-9-27-23(16)17)14-5-3-13(4-6-14)10-22-28-20-11-18(25)19(26)12-21(20)29-22/h1-2,9-13,15-18H,3-8,14H2,(H,29,30);1-2,7-11,13-15H,3-6,12H2,(H,27,28);2*1-2,7-9,11-14H,3-6,10H2,(H,28,29)
• InChIKey: LQAKRJJDMXKLDY-UHFFFAOYSA-N
• XLogP: 25.15
• TPSA: 166.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1584.26
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)?

The IUPAC name of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline) (CID 159423287) is 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline).

What is the SMILES notation for 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)?

The canonical SMILES for 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline) is Fc1cc2nc(CC3CCC(c4ccc(F)c5ncccc45)CC3)[nH]c2cc1F.Fc1cc2nc(CC3CCC(c4ccc(F)c5ncccc45)CC3)[nH]c2cc1F.Fc1ccc(C2CCC(Cc3nc4ccc(C5CC5)cc4[nH]3)CC2)c2cccnc12.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)c2ncccc12.

What is the InChIKey of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)?

The InChIKey is LQAKRJJDMXKLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3.C23H21ClFN3.2C23H20F3N3/c27-22-11-10-20(21-2-1-13-28-26(21)22)18-5-3-16(4-6-18)14-25-29-23-12-9-19(17-7-8-17)15-24(23)30-25;24-16-7-10-20-21(13-16)28-22(27-20)12-14-3-5-15(6-4-14)17-8-9-19(25)18-2-1-11-26-23(17)18;2*24-17-8-7-15(16-2-1-9-27-23(16)17)14-5-3-13(4-6-14)10-22-28-20-11-18(25)19(26)12-21(20)29-22/h1-2,9-13,15-18H,3-8,14H2,(H,29,30);1-2,7-11,13-15H,3-6,12H2,(H,27,28);2*1-2,7-9,11-14H,3-6,10H2,(H,28,29).

What are the key properties of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline)?

8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline) has a molecular weight of 1584.26 g/mol, XLogP of 25.15, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline;bis(5-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-8-fluoroquinoline) is sourced from PubChem (CID 159423287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).