4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C98H88F2N26O4S2 — CID 158042594

About 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 158042594) has the molecular formula C98H88F2N26O4S2 and a molecular weight of 1796.09 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 158042594
• Molecular Formula: C98H88F2N26O4S2
• Molecular Weight: 1796.09 g/mol
• Exact Mass: 1794.69
• IUPAC Name: 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CCCC(=O)c1ccc(-c2nc(-c3ccc4ncsc4c3)c(-c3ccn(C)n3)[nH]2)cc1.CN(C)C(=O)c1ccc(-c2nc(-c3ccc4ncsc4c3)c(-c3ccn(C)n3)[nH]2)cc1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncc(C(N)=O)n4c3)c(-c3ccn(C4CC4)n3)[nH]2)c1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncc(C(N)=O)n4n3)c(-c3ccn(C4CC4)n3)[nH]2)c1
• InChI: InChI=1S/C26H24FN7O.C25H23FN8O.C24H21N5OS.C23H20N6OS/c1-15-10-16(12-18(27)11-15)2-6-22-30-24(25(31-22)20-8-9-34(32-20)19-4-5-19)17-3-7-23-29-13-21(26(28)35)33(23)14-17;1-14-10-15(12-16(26)11-14)2-6-21-29-23(24(30-21)19-8-9-33(31-19)17-3-4-17)18-5-7-22-28-13-20(25(27)35)34(22)32-18;1-3-4-20(30)15-5-7-16(8-6-15)24-26-22(23(27-24)19-11-12-29(2)28-19)17-9-10-18-21(13-17)31-14-25-18;1-28(2)23(30)15-6-4-14(5-7-15)22-25-20(21(26-22)18-10-11-29(3)27-18)16-8-9-17-19(12-16)31-13-24-17/h3,7-14,19H,2,4-6H2,1H3,(H2,28,35)(H,30,31);5,7-13,17H,2-4,6H2,1H3,(H2,27,35)(H,29,30);5-14H,3-4H2,1-2H3,(H,26,27);4-13H,1-3H3,(H,25,26)
• InChIKey: FINLVIIQUGXAJY-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 382.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1796.09
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 158042594) is 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CCCC(=O)c1ccc(-c2nc(-c3ccc4ncsc4c3)c(-c3ccn(C)n3)[nH]2)cc1.CN(C)C(=O)c1ccc(-c2nc(-c3ccc4ncsc4c3)c(-c3ccn(C)n3)[nH]2)cc1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncc(C(N)=O)n4c3)c(-c3ccn(C4CC4)n3)[nH]2)c1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncc(C(N)=O)n4n3)c(-c3ccn(C4CC4)n3)[nH]2)c1.

What is the InChIKey of 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is FINLVIIQUGXAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O.C25H23FN8O.C24H21N5OS.C23H20N6OS/c1-15-10-16(12-18(27)11-15)2-6-22-30-24(25(31-22)20-8-9-34(32-20)19-4-5-19)17-3-7-23-29-13-21(26(28)35)33(23)14-17;1-14-10-15(12-16(26)11-14)2-6-21-29-23(24(30-21)19-8-9-33(31-19)17-3-4-17)18-5-7-22-28-13-20(25(27)35)34(22)32-18;1-3-4-20(30)15-5-7-16(8-6-15)24-26-22(23(27-24)19-11-12-29(2)28-19)17-9-10-18-21(13-17)31-14-25-18;1-28(2)23(30)15-6-4-14(5-7-15)22-25-20(21(26-22)18-10-11-29(3)27-18)16-8-9-17-19(12-16)31-13-24-17/h3,7-14,19H,2,4-6H2,1H3,(H2,28,35)(H,30,31);5,7-13,17H,2-4,6H2,1H3,(H2,27,35)(H,29,30);5-14H,3-4H2,1-2H3,(H,26,27);4-13H,1-3H3,(H,25,26).

What are the key properties of 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1796.09 g/mol, XLogP of 18.10, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide;1-[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]butan-1-one;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 158042594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).