N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate

C111H73F12N27O24S — CID 158871464

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 158871464) has the molecular formula C111H73F12N27O24S and a molecular weight of 2429.01 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

• Compound Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate
• PubChem CID: 158871464
• Molecular Formula: C111H73F12N27O24S
• Molecular Weight: 2429.01 g/mol
• Exact Mass: 2427.49
• IUPAC Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate
• SMILES: CCOC(=O)c1cc(C)n(-c2cccc(C(=O)Nc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c1C.Cc1cc(-c2nc(C(=O)Nc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cs2)no1.Cc1nn(C)cc1-c1cc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)no1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cc(-c2ccco2)on1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(-n2cccn2)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2ncc[nH]2)c1
• InChI: InChI=1S/C24H20F2N4O5.C18H13F2N5O4.2C18H11F2N5O3.C17H9F2N3O5.C16H9F2N5O4S/c1-4-33-22(32)16-8-12(2)30(13(16)3)15-7-5-6-14(9-15)21(31)29-23-27-17-10-19-20(11-18(17)28-23)35-24(25,26)34-19;1-8-10(7-25(2)23-8)13-6-12(24-29-13)17(26)22-16-4-9-3-14-15(5-11(9)21-16)28-18(19,20)27-14;19-18(20)27-14-8-12-13(9-15(14)28-18)23-17(22-12)24-16(26)10-2-4-11(5-3-10)25-7-1-6-21-25;19-18(20)27-13-7-11-12(8-14(13)28-18)24-17(23-11)25-16(26)10-3-1-2-9(6-10)15-21-4-5-22-15;18-17(19)25-12-4-8-5-15(20-9(8)6-13(12)26-17)21-16(23)10-7-14(27-22-10)11-2-1-3-24-11;1-6-2-9(23-27-6)14-19-10(5-28-14)13(24)22-15-20-7-3-11-12(4-8(7)21-15)26-16(17,18)25-11/h5-11H,4H2,1-3H3,(H2,27,28,29,31);3,5-7H,4H2,1-2H3,(H,21,22,26);1-9H,(H2,22,23,24,26);1-8H,(H,21,22)(H2,23,24,25,26);1-4,6-7H,5H2,(H,20,21,23);2-5H,1H3,(H2,20,21,22,24)
• InChIKey: JBWZKYLOESXFRT-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 624.47 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.01
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate?

The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate (CID 158871464) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate.

What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate?

The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(-c2cccc(C(=O)Nc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c1C.Cc1cc(-c2nc(C(=O)Nc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cs2)no1.Cc1nn(C)cc1-c1cc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)no1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cc(-c2ccco2)on1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(-n2cccn2)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2ncc[nH]2)c1.

What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate?

The InChIKey is JBWZKYLOESXFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O5.C18H13F2N5O4.2C18H11F2N5O3.C17H9F2N3O5.C16H9F2N5O4S/c1-4-33-22(32)16-8-12(2)30(13(16)3)15-7-5-6-14(9-15)21(31)29-23-27-17-10-19-20(11-18(17)28-23)35-24(25,26)34-19;1-8-10(7-25(2)23-8)13-6-12(24-29-13)17(26)22-16-4-9-3-14-15(5-11(9)21-16)28-18(19,20)27-14;19-18(20)27-14-8-12-13(9-15(14)28-18)23-17(22-12)24-16(26)10-2-4-11(5-3-10)25-7-1-6-21-25;19-18(20)27-13-7-11-12(8-14(13)28-18)24-17(23-11)25-16(26)10-3-1-2-9(6-10)15-21-4-5-22-15;18-17(19)25-12-4-8-5-15(20-9(8)6-13(12)26-17)21-16(23)10-7-14(27-22-10)11-2-1-3-24-11;1-6-2-9(23-27-6)14-19-10(5-28-14)13(24)22-15-20-7-3-11-12(4-8(7)21-15)26-16(17,18)25-11/h5-11H,4H2,1-3H3,(H2,27,28,29,31);3,5-7H,4H2,1-2H3,(H,21,22,26);1-9H,(H2,22,23,24,26);1-8H,(H,21,22)(H2,23,24,25,26);1-4,6-7H,5H2,(H,20,21,23);2-5H,1H3,(H2,20,21,22,24).

What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate?

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 2429.01 g/mol, XLogP of 21.12, 18 rotatable bonds, 11 hydrogen bond donors, and 41 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)-3-(1H-imidazol-2-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-pyrazol-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;ethyl 1-[3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]phenyl]-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 158871464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).