N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C120H108F3IN24O12S3 — CID 161468435

About N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 161468435) has the molecular formula C120H108F3IN24O12S3 and a molecular weight of 2358.44 g/mol. Its IUPAC name is N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 161468435
• Molecular Formula: C120H108F3IN24O12S3
• Molecular Weight: 2358.44 g/mol
• Exact Mass: 2356.67
• IUPAC Name: N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CCOc1nc2c(-c3c(-c4ccccc4)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)CCC(F)(F)F)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)c3ccccc3)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2nc(NS(C)(=O)=O)n(C)c12.Cc1noc(C)c1-c1cc(I)c2nc(NCc3ccccc3)[nH]c2c1
• InChI: InChI=1S/C28H23N5O3S.C25H22F3N5O3S.C24H23N5O3S.C24H23N5O2.C19H17IN4O/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;1-13-6-7-19-17(5-4-9-29-19)21(13)18-11-16(22-14(2)32-36-15(22)3)12-20-23(18)31-24(30-20)33-37(34,35)10-8-25(26,27)28;1-13-8-9-19-17(7-6-10-25-19)21(13)18-11-16(22-14(2)27-32-15(22)3)12-20-23(18)29(4)24(26-20)28-33(5,30)31;1-5-30-24-26-20-12-17(21-14(2)28-31-15(21)3)11-18(22(20)27-24)23-19(13-25-29(23)4)16-9-7-6-8-10-16;1-11-17(12(2)25-24-11)14-8-15(20)18-16(9-14)22-19(23-18)21-10-13-6-4-3-5-7-13/h4-15H,1-3H3,(H2,30,31,33);4-7,9,11-12H,8,10H2,1-3H3,(H2,30,31,33);6-12H,1-5H3,(H,26,28);6-13H,5H2,1-4H3,(H,26,27);3-9H,10H2,1-2H3,(H2,21,22,23)
• InChIKey: WCTCMNGGELFECR-UHFFFAOYSA-N
• XLogP: 27.30
• TPSA: 478.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.44
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 161468435) is N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCOc1nc2c(-c3c(-c4ccccc4)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)CCC(F)(F)F)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)c3ccccc3)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2nc(NS(C)(=O)=O)n(C)c12.Cc1noc(C)c1-c1cc(I)c2nc(NCc3ccccc3)[nH]c2c1.

What is the InChIKey of N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is WCTCMNGGELFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3S.C25H22F3N5O3S.C24H23N5O3S.C24H23N5O2.C19H17IN4O/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;1-13-6-7-19-17(5-4-9-29-19)21(13)18-11-16(22-14(2)32-36-15(22)3)12-20-23(18)31-24(30-20)33-37(34,35)10-8-25(26,27)28;1-13-8-9-19-17(7-6-10-25-19)21(13)18-11-16(22-14(2)27-32-15(22)3)12-20-23(18)29(4)24(26-20)28-33(5,30)31;1-5-30-24-26-20-12-17(21-14(2)28-31-15(21)3)11-18(22(20)27-24)23-19(13-25-29(23)4)16-9-7-6-8-10-16;1-11-17(12(2)25-24-11)14-8-15(20)18-16(9-14)22-19(23-18)21-10-13-6-4-3-5-7-13/h4-15H,1-3H3,(H2,30,31,33);4-7,9,11-12H,8,10H2,1-3H3,(H2,30,31,33);6-12H,1-5H3,(H,26,28);6-13H,5H2,1-4H3,(H,26,27);3-9H,10H2,1-2H3,(H2,21,22,23).

What are the key properties of N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2358.44 g/mol, XLogP of 27.30, 24 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1H-benzimidazol-2-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-2-yl]methanesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]benzenesulfonamide;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoropropane-1-sulfonamide;4-[2-ethoxy-7-(1-methyl-4-phenylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 161468435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).