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

C60H58BI2N10O8S2- — CID 157345343

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

N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid (PubChem CID 157345343) has the molecular formula C60H58BI2N10O8S2- and a molecular weight of 1375.94 g/mol. Its IUPAC name is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;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]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid
• PubChem CID: 157345343
• Molecular Formula: C60H58BI2N10O8S2-
• Molecular Weight: 1375.94 g/mol
• Exact Mass: 1375.21
• IUPAC Name: N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid
• SMILES: CCC[I-]C.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)c3ccccc3)nc12.Cc1ccc2ncccc2c1B(O)O.Cc1noc(C)c1-c1cc(I)c2nc(NS(=O)(=O)c3ccccc3)[nH]c2c1
• InChI: InChI=1S/C28H23N5O3S.C18H15IN4O3S.C10H10BNO2.C4H10I/c1-16-11-12-23-21(10-7-13-29-23)25(16)22-14-19(26-17(2)32-36-18(26)3)15-24-27(22)31-28(30-24)33-37(34,35)20-8-5-4-6-9-20;1-10-16(11(2)26-22-10)12-8-14(19)17-15(9-12)20-18(21-17)23-27(24,25)13-6-4-3-5-7-13;1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14;1-3-4-5-2/h4-15H,1-3H3,(H2,30,31,33);3-9H,1-2H3,(H2,20,21,23);2-6,13-14H,1H3;3-4H2,1-2H3/q;;;-1
• InChIKey: ASVFBPYSCMQFKH-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 268.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1375.94
LogP ≤ 5	8.74
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]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;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]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid (CID 157345343) is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;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]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;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]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid is CCC[I-]C.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)c3ccccc3)nc12.Cc1ccc2ncccc2c1B(O)O.Cc1noc(C)c1-c1cc(I)c2nc(NS(=O)(=O)c3ccccc3)[nH]c2c1.

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

The InChIKey is ASVFBPYSCMQFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3S.C18H15IN4O3S.C10H10BNO2.C4H10I/c1-16-11-12-23-21(10-7-13-29-23)25(16)22-14-19(26-17(2)32-36-18(26)3)15-24-27(22)31-28(30-24)33-37(34,35)20-8-5-4-6-9-20;1-10-16(11(2)26-22-10)12-8-14(19)17-15(9-12)20-18(21-17)23-27(24,25)13-6-4-3-5-7-13;1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14;1-3-4-5-2/h4-15H,1-3H3,(H2,30,31,33);3-9H,1-2H3,(H2,20,21,23);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]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid?

N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid has a molecular weight of 1375.94 g/mol, XLogP of 8.74, 12 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]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;1-methyliodanuidylpropane;(6-methylquinolin-5-yl)boronic acid is sourced from PubChem (CID 157345343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).