5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C118H111N21O8 — CID 158345441

About 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158345441) has the molecular formula C118H111N21O8 and a molecular weight of 1951.32 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158345441
• Molecular Formula: C118H111N21O8
• Molecular Weight: 1951.32 g/mol
• Exact Mass: 1949.89
• IUPAC Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1nc(C)c(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1ncc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1noc(C)c1-c1cc(-c2ccc3c(c2)C(=O)CC32CC2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3[nH]c(=O)ccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3c2CCC(=O)N3C)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C26H23N3O2.C25H24N4O2.C24H20N4O2.C22H23N5O.C21H21N5O/c1-13-23(14(2)31-29-13)17-10-18(24-21(11-17)27-25(28-24)15-3-4-15)16-5-6-20-19(9-16)22(30)12-26(20)7-8-26;1-13-23(14(2)31-28-13)16-11-19(24-20(12-16)26-25(27-24)15-7-8-15)17-5-4-6-21-18(17)9-10-22(30)29(21)3;1-12-22(13(2)30-28-12)15-10-18(23-20(11-15)26-24(27-23)14-6-7-14)16-4-3-5-19-17(16)8-9-21(29)25-19;1-10-19(11(2)24-14(5)23-10)17-8-16(20-12(3)27-28-13(20)4)9-18-21(17)26-22(25-18)15-6-7-15;1-10-17(9-22-13(4)23-10)16-7-15(19-11(2)26-27-12(19)3)8-18-20(16)25-21(24-18)14-5-6-14/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(H,27,28);4-6,11-12,15H,7-10H2,1-3H3,(H,26,27);3-5,8-11,14H,6-7H2,1-2H3,(H,25,29)(H,26,27);8-9,15H,6-7H2,1-5H3,(H,25,26);7-9,14H,5-6H2,1-4H3,(H,24,25)
• InChIKey: GRRFWMIFFXYTEY-UHFFFAOYSA-N
• XLogP: 26.39
• TPSA: 395.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.32
LogP ≤ 5	26.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158345441) is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1nc(C)c(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1ncc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c(C)n1.Cc1noc(C)c1-c1cc(-c2ccc3c(c2)C(=O)CC32CC2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3[nH]c(=O)ccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3c2CCC(=O)N3C)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is GRRFWMIFFXYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2.C25H24N4O2.C24H20N4O2.C22H23N5O.C21H21N5O/c1-13-23(14(2)31-29-13)17-10-18(24-21(11-17)27-25(28-24)15-3-4-15)16-5-6-20-19(9-16)22(30)12-26(20)7-8-26;1-13-23(14(2)31-28-13)16-11-19(24-20(12-16)26-25(27-24)15-7-8-15)17-5-4-6-21-18(17)9-10-22(30)29(21)3;1-12-22(13(2)30-28-12)15-10-18(23-20(11-15)26-24(27-23)14-6-7-14)16-4-3-5-19-17(16)8-9-21(29)25-19;1-10-19(11(2)24-14(5)23-10)17-8-16(20-12(3)27-28-13(20)4)9-18-21(17)26-22(25-18)15-6-7-15;1-10-17(9-22-13(4)23-10)16-7-15(19-11(2)26-27-12(19)3)8-18-20(16)25-21(24-18)14-5-6-14/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(H,27,28);4-6,11-12,15H,7-10H2,1-3H3,(H,26,27);3-5,8-11,14H,6-7H2,1-2H3,(H,25,29)(H,26,27);8-9,15H,6-7H2,1-5H3,(H,25,26);7-9,14H,5-6H2,1-4H3,(H,24,25).

What are the key properties of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1951.32 g/mol, XLogP of 26.39, 15 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one;6-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]spiro[2H-indene-3,1'-cyclopropane]-1-one;4-[2-cyclopropyl-7-(2,4-dimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4,6-trimethylpyrimidin-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158345441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).