3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C91H84N20O7S — CID 158302120

About 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158302120) has the molecular formula C91H84N20O7S and a molecular weight of 1601.87 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158302120
• Molecular Formula: C91H84N20O7S
• Molecular Weight: 1601.87 g/mol
• Exact Mass: 1600.66
• IUPAC Name: 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(-c3cnn(C)c3)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)C3CC3)nc12.Cc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1
• InChI: InChI=1S/C26H22N6O.C25H23N5O3S.C22H20N4O2.C18H19N5O/c1-14-7-8-21-19(6-5-9-27-21)23(14)20-10-17(24-15(2)31-33-16(24)3)11-22-25(20)30-26(29-22)18-12-28-32(4)13-18;1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-16(23-14(2)29-33-15(23)3)12-21-24(19)28-25(27-21)30-34(31,32)17-7-8-17;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;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-13H,1-4H3,(H,29,30);4-6,9-12,17H,7-8H2,1-3H3,(H2,27,28,30);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);6-8H,1-5H3,(H,20,21)
• InChIKey: GMPSIUGQZBNFAZ-UHFFFAOYSA-N
• XLogP: 19.57
• TPSA: 355.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1601.87
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158302120) is 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(-c3cnn(C)c3)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)C3CC3)nc12.Cc1nc2c(-c3c(C)cnn3C)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-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is GMPSIUGQZBNFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O.C25H23N5O3S.C22H20N4O2.C18H19N5O/c1-14-7-8-21-19(6-5-9-27-21)23(14)20-10-17(24-15(2)31-33-16(24)3)11-22-25(20)30-26(29-22)18-12-28-32(4)13-18;1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-16(23-14(2)29-33-15(23)3)12-21-24(19)28-25(27-21)30-34(31,32)17-7-8-17;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;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-13H,1-4H3,(H,29,30);4-6,9-12,17H,7-8H2,1-3H3,(H2,27,28,30);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);6-8H,1-5H3,(H,20,21).

What are the key properties of 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1601.87 g/mol, XLogP of 19.57, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-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;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158302120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).