6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide

C115H111F6N15O3 — CID 167678134

About 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide

6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 167678134) has the molecular formula C115H111F6N15O3 and a molecular weight of 1865.24 g/mol. Its IUPAC name is 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 167678134
• Molecular Formula: C115H111F6N15O3
• Molecular Weight: 1865.24 g/mol
• Exact Mass: 1863.89
• IUPAC Name: 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
• SMILES: COCCNC(=O)c1ccc2nc(C(C)C3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2c1.C[C@@H](c1nc2cc(-c3ccccc3)c(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@H](c1nc2cc(-c3ccccc3)c(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Cc1noc(-c2ccc3nc(C(C)C4CCC(c5ccnc6ccc(F)cc56)CC4)[nH]c3c2)n1
• InChI: InChI=1S/2C30H27F2N3.C28H31FN4O2.C27H26FN5O/c2*1-18(30-34-28-16-24(20-5-3-2-4-6-20)26(32)17-29(28)35-30)19-7-9-21(10-8-19)23-13-14-33-27-12-11-22(31)15-25(23)27;1-17(27-32-25-9-7-20(15-26(25)33-27)28(34)31-13-14-35-2)18-3-5-19(6-4-18)22-11-12-30-24-10-8-21(29)16-23(22)24;1-15(26-31-24-9-7-19(13-25(24)32-26)27-30-16(2)33-34-27)17-3-5-18(6-4-17)21-11-12-29-23-10-8-20(28)14-22(21)23/h2*2-6,11-19,21H,7-10H2,1H3,(H,34,35);7-12,15-19H,3-6,13-14H2,1-2H3,(H,31,34)(H,32,33);7-15,17-18H,3-6H2,1-2H3,(H,31,32)/t2*18-,19?,21?;;/m10../s1
• InChIKey: VCVKSFRQSBIRKB-BLYOJBKZSA-N
• XLogP: 28.66
• TPSA: 243.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.24
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide (CID 167678134) is 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide is COCCNC(=O)c1ccc2nc(C(C)C3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2c1.C[C@@H](c1nc2cc(-c3ccccc3)c(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@H](c1nc2cc(-c3ccccc3)c(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Cc1noc(-c2ccc3nc(C(C)C4CCC(c5ccnc6ccc(F)cc56)CC4)[nH]c3c2)n1.

What is the InChIKey of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?

The InChIKey is VCVKSFRQSBIRKB-BLYOJBKZSA-N. The full InChI is InChI=1S/2C30H27F2N3.C28H31FN4O2.C27H26FN5O/c2*1-18(30-34-28-16-24(20-5-3-2-4-6-20)26(32)17-29(28)35-30)19-7-9-21(10-8-19)23-13-14-33-27-12-11-22(31)15-25(23)27;1-17(27-32-25-9-7-20(15-26(25)33-27)28(34)31-13-14-35-2)18-3-5-19(6-4-18)22-11-12-30-24-10-8-21(29)16-23(22)24;1-15(26-31-24-9-7-19(13-25(24)32-26)27-30-16(2)33-34-27)17-3-5-18(6-4-17)21-11-12-29-23-10-8-20(28)14-22(21)23/h2*2-6,11-19,21H,7-10H2,1H3,(H,34,35);7-12,15-19H,3-6,13-14H2,1-2H3,(H,31,34)(H,32,33);7-15,17-18H,3-6H2,1-2H3,(H,31,32)/t2*18-,19?,21?;;/m10../s1.

What are the key properties of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide?

6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 1865.24 g/mol, XLogP of 28.66, 19 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-4-[4-[(1R)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1S)-1-(6-fluoro-5-phenyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-3-methyl-1,2,4-oxadiazole;2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167678134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).