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

C75H67N15O6S — CID 157461501

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

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide (PubChem CID 157461501) has the molecular formula C75H67N15O6S and a molecular weight of 1306.53 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
• PubChem CID: 157461501
• Molecular Formula: C75H67N15O6S
• Molecular Weight: 1306.53 g/mol
• Exact Mass: 1305.51
• IUPAC Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
• 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.Cc1noc(C)c1-c1cc(-c2cccc3c2CCC(=O)N3)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C26H22N6O.C25H23N5O3S.C24H22N4O2/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;1-12-22(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/h5-13H,1-4H3,(H,29,30);4-6,9-12,17H,7-8H2,1-3H3,(H2,27,28,30);3-5,10-11,14H,6-9H2,1-2H3,(H,25,29)(H,26,27)
• InChIKey: BTZCYPMJKWLQJZ-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 283.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1306.53
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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

The IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide (CID 157461501) is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide.

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

The canonical SMILES for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide 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.Cc1noc(C)c1-c1cc(-c2cccc3c2CCC(=O)N3)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]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?

The InChIKey is BTZCYPMJKWLQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O.C25H23N5O3S.C24H22N4O2/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;1-12-22(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/h5-13H,1-4H3,(H,29,30);4-6,9-12,17H,7-8H2,1-3H3,(H2,27,28,30);3-5,10-11,14H,6-9H2,1-2H3,(H,25,29)(H,26,27).

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

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide has a molecular weight of 1306.53 g/mol, XLogP of 16.29, 11 rotatable bonds, 5 hydrogen bond donors, and 16 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]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 157461501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).