N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide

C96H71F10N27O21S5 — CID 161032507

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 161032507) has the molecular formula C96H71F10N27O21S5 and a molecular weight of 2289.11 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 161032507
• Molecular Formula: C96H71F10N27O21S5
• Molecular Weight: 2289.11 g/mol
• Exact Mass: 2287.38
• IUPAC Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide
• SMILES: COc1cc(Cc2ncc(C(=O)NC3=Nc4cc5c(cc4C3)OC(F)(F)O5)s2)nc(OC)n1.NS(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1csc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1=NC=NC1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(C2CCN(c3ncnc4ccsc34)CC2)n1
• InChI: InChI=1S/C26H22F2N6O5S.C23H17F2N7O3S2.C20H15F2N5O5S.C15H10F2N4O5S.C12H7F2N5O3/c27-26(28)38-20-11-15-12-22(29-16(15)13-21(20)39-26)31-23(35)17-14-40-24(30-17)34-19-4-2-1-3-18(19)33(25(34)36)6-5-32-7-9-37-10-8-32;24-23(25)34-16-7-13-14(8-17(16)35-23)30-22(29-13)31-20(33)15-9-37-21(28-15)11-1-4-32(5-2-11)19-18-12(3-6-36-18)26-10-27-19;1-29-16-5-10(24-19(27-16)30-2)6-17-23-8-14(33-17)18(28)26-15-4-9-3-12-13(7-11(9)25-15)32-20(21,22)31-12;16-15(17)25-11-5-9-10(6-12(11)26-15)20-14(19-9)21-13(22)7-2-1-3-8(4-7)27(18,23)24;13-12(14)21-8-1-5-6(2-9(8)22-12)18-11(17-5)19-10(20)7-3-15-4-16-7/h1-4,11,13-14H,5-10,12H2,(H,29,31,35);3,6-11H,1-2,4-5H2,(H2,29,30,31,33);3,5,7-8H,4,6H2,1-2H3,(H,25,26,28);1-6H,(H2,18,23,24)(H2,19,20,21,22);1-2,4H,3H2,(H2,17,18,19,20)
• InChIKey: TZUQJSACJYCQEF-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 584.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2289.11
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide (CID 161032507) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide is COc1cc(Cc2ncc(C(=O)NC3=Nc4cc5c(cc4C3)OC(F)(F)O5)s2)nc(OC)n1.NS(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1csc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1=NC=NC1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(C2CCN(c3ncnc4ccsc34)CC2)n1.

What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is TZUQJSACJYCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O5S.C23H17F2N7O3S2.C20H15F2N5O5S.C15H10F2N4O5S.C12H7F2N5O3/c27-26(28)38-20-11-15-12-22(29-16(15)13-21(20)39-26)31-23(35)17-14-40-24(30-17)34-19-4-2-1-3-18(19)33(25(34)36)6-5-32-7-9-37-10-8-32;24-23(25)34-16-7-13-14(8-17(16)35-23)30-22(29-13)31-20(33)15-9-37-21(28-15)11-1-4-32(5-2-11)19-18-12(3-6-36-18)26-10-27-19;1-29-16-5-10(24-19(27-16)30-2)6-17-23-8-14(33-17)18(28)26-15-4-9-3-12-13(7-11(9)25-15)32-20(21,22)31-12;16-15(17)25-11-5-9-10(6-12(11)26-15)20-14(19-9)21-13(22)7-2-1-3-8(4-7)27(18,23)24;13-12(14)21-8-1-5-6(2-9(8)22-12)18-11(17-5)19-10(20)7-3-15-4-16-7/h1-4,11,13-14H,5-10,12H2,(H,29,31,35);3,6-11H,1-2,4-5H2,(H2,29,30,31,33);3,5,7-8H,4,6H2,1-2H3,(H,25,26,28);1-6H,(H2,18,23,24)(H2,19,20,21,22);1-2,4H,3H2,(H2,17,18,19,20).

What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide?

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2289.11 g/mol, XLogP of 13.87, 19 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-sulfamoylbenzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161032507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).