7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide

C114H86F5N21O8S — CID 159982446

About 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide

7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide (PubChem CID 159982446) has the molecular formula C114H86F5N21O8S and a molecular weight of 2005.14 g/mol. Its IUPAC name is 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide
• PubChem CID: 159982446
• Molecular Formula: C114H86F5N21O8S
• Molecular Weight: 2005.14 g/mol
• Exact Mass: 2003.66
• IUPAC Name: 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide
• SMILES: CC(C)c1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(S(=O)(=O)O)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ncccc43)cc2n1
• InChI: InChI=1S/C24H17FN4O4S.C24H17FN4O.C23H16FN5O.C23H21FN4O.C20H15FN4O/c25-16-8-6-15(7-9-16)18-12-21(23(26)30)27-20-11-14(5-10-17(18)20)13-29-22-4-2-1-3-19(22)28-24(29)34(31,32)33;25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29;24-16-6-4-15(5-7-16)18-11-20(22(25)30)28-19-10-14(3-8-17(18)19)12-29-13-27-23-21(29)2-1-9-26-23;1-14(2)23-26-9-10-28(23)13-15-3-8-18-19(16-4-6-17(24)7-5-16)12-21(22(25)29)27-20(18)11-15;21-15-4-2-14(3-5-15)17-10-19(20(22)26)24-18-9-13(1-6-16(17)18)11-25-8-7-23-12-25/h1-12H,13H2,(H2,26,30)(H,31,32,33);1-12,14H,13H2,(H2,26,30);1-11,13H,12H2,(H2,25,30);3-12,14H,13H2,1-2H3,(H2,25,29);1-10,12H,11H2,(H2,22,26)
• InChIKey: OFYCVGGQGZUAGZ-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 436.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2005.14
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide?

The IUPAC name of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide (CID 159982446) is 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide.

What is the SMILES notation for 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide?

The canonical SMILES for 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide is CC(C)c1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(S(=O)(=O)O)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ncccc43)cc2n1.

What is the InChIKey of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide?

The InChIKey is OFYCVGGQGZUAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O4S.C24H17FN4O.C23H16FN5O.C23H21FN4O.C20H15FN4O/c25-16-8-6-15(7-9-16)18-12-21(23(26)30)27-20-11-14(5-10-17(18)20)13-29-22-4-2-1-3-19(22)28-24(29)34(31,32)33;25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29;24-16-6-4-15(5-7-16)18-11-20(22(25)30)28-19-10-14(3-8-17(18)19)12-29-13-27-23-21(29)2-1-9-26-23;1-14(2)23-26-9-10-28(23)13-15-3-8-18-19(16-4-6-17(24)7-5-16)12-21(22(25)29)27-20(18)11-15;21-15-4-2-14(3-5-15)17-10-19(20(22)26)24-18-9-13(1-6-16(17)18)11-25-8-7-23-12-25/h1-12H,13H2,(H2,26,30)(H,31,32,33);1-12,14H,13H2,(H2,26,30);1-11,13H,12H2,(H2,25,30);3-12,14H,13H2,1-2H3,(H2,25,29);1-10,12H,11H2,(H2,22,26).

What are the key properties of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide?

7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide has a molecular weight of 2005.14 g/mol, XLogP of 20.15, 22 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159982446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).