3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C117H106N20O10 — CID 158498720

About 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158498720) has the molecular formula C117H106N20O10 and a molecular weight of 1952.26 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158498720
• Molecular Formula: C117H106N20O10
• Molecular Weight: 1952.26 g/mol
• Exact Mass: 1950.84
• IUPAC Name: 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CCOc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(O)CCO)nc12.Cc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1
• InChI: InChI=1S/C25H24N4O3.C24H22N4O2.C23H20N4O2.C23H20N4O.C22H20N4O2/c1-13-6-7-19-17(5-4-9-26-19)22(13)18-11-16(23-14(2)29-32-15(23)3)12-20-24(18)28-25(27-20)21(31)8-10-30;1-5-29-24-26-20-12-16(22-14(3)28-30-15(22)4)11-18(23(20)27-24)21-13(2)8-9-19-17(21)7-6-10-25-19;1-12-7-8-18-16(6-5-9-24-18)20(12)17-10-15(21-13(2)27-29-14(21)3)11-19-22(17)26-23(25-19)28-4;1-12-7-8-19-17(6-5-9-24-19)21(12)18-10-16(22-13(2)27-28-14(22)3)11-20-23(18)26-15(4)25-20;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18/h4-7,9,11-12,21,30-31H,8,10H2,1-3H3,(H,27,28);6-12H,5H2,1-4H3,(H,26,27);5-11H,1-4H3,(H,25,26);5-11H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27)
• InChIKey: HJPRPHCRZHGRRB-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 413.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.26
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158498720) is 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCOc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(O)CCO)nc12.Cc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1.

What is the InChIKey of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is HJPRPHCRZHGRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3.C24H22N4O2.C23H20N4O2.C23H20N4O.C22H20N4O2/c1-13-6-7-19-17(5-4-9-26-19)22(13)18-11-16(23-14(2)29-32-15(23)3)12-20-24(18)28-25(27-20)21(31)8-10-30;1-5-29-24-26-20-12-16(22-14(3)28-30-15(22)4)11-18(23(20)27-24)21-13(2)8-9-19-17(21)7-6-10-25-19;1-12-7-8-18-16(6-5-9-24-18)20(12)17-10-15(21-13(2)27-29-14(21)3)11-19-22(17)26-23(25-19)28-4;1-12-7-8-19-17(6-5-9-24-19)21(12)18-10-16(22-13(2)27-28-14(22)3)11-20-23(18)26-15(4)25-20;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18/h4-7,9,11-12,21,30-31H,8,10H2,1-3H3,(H,27,28);6-12H,5H2,1-4H3,(H,26,27);5-11H,1-4H3,(H,25,26);5-11H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27).

What are the key properties of 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1952.26 g/mol, XLogP of 26.26, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[2-ethoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158498720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).