N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid

C50H54BI2N10O8S2- — CID 157096550

About N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid

N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid (PubChem CID 157096550) has the molecular formula C50H54BI2N10O8S2- and a molecular weight of 1251.80 g/mol. Its IUPAC name is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid.

Molecular Properties

• Compound Name: N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid
• PubChem CID: 157096550
• Molecular Formula: C50H54BI2N10O8S2-
• Molecular Weight: 1251.80 g/mol
• Exact Mass: 1251.18
• IUPAC Name: N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid
• SMILES: CCC[I-]C.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(C)(=O)=O)nc12.Cc1ccc2ncccc2c1B(O)O.Cc1noc(C)c1-c1cc(I)c2nc(NS(C)(=O)=O)[nH]c2c1
• InChI: InChI=1S/C23H21N5O3S.C13H13IN4O3S.C10H10BNO2.C4H10I/c1-12-7-8-18-16(6-5-9-24-18)20(12)17-10-15(21-13(2)27-31-14(21)3)11-19-22(17)26-23(25-19)28-32(4,29)30;1-6-11(7(2)21-17-6)8-4-9(14)12-10(5-8)15-13(16-12)18-22(3,19)20;1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14;1-3-4-5-2/h5-11H,1-4H3,(H2,25,26,28);4-5H,1-3H3,(H2,15,16,18);2-6,13-14H,1H3;3-4H2,1-2H3/q;;;-1
• InChIKey: MHAAQHGEIJWNMK-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 268.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1251.80
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid?

The IUPAC name of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid (CID 157096550) is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid.

What is the SMILES notation for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid?

The canonical SMILES for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid is CCC[I-]C.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(C)(=O)=O)nc12.Cc1ccc2ncccc2c1B(O)O.Cc1noc(C)c1-c1cc(I)c2nc(NS(C)(=O)=O)[nH]c2c1.

What is the InChIKey of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid?

The InChIKey is MHAAQHGEIJWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S.C13H13IN4O3S.C10H10BNO2.C4H10I/c1-12-7-8-18-16(6-5-9-24-18)20(12)17-10-15(21-13(2)27-31-14(21)3)11-19-22(17)26-23(25-19)28-32(4,29)30;1-6-11(7(2)21-17-6)8-4-9(14)12-10(5-8)15-13(16-12)18-22(3,19)20;1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14;1-3-4-5-2/h5-11H,1-4H3,(H2,25,26,28);4-5H,1-3H3,(H2,15,16,18);2-6,13-14H,1H3;3-4H2,1-2H3/q;;;-1.

What are the key properties of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid?

N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid has a molecular weight of 1251.80 g/mol, XLogP of 5.88, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]methanesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid is sourced from PubChem (CID 157096550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).