2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C95H65F12N23O20S4 — CID 161273468

About 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 161273468) has the molecular formula C95H65F12N23O20S4 and a molecular weight of 2204.95 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 161273468
• Molecular Formula: C95H65F12N23O20S4
• Molecular Weight: 2204.95 g/mol
• Exact Mass: 2203.35
• IUPAC Name: 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
• SMILES: CCNc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.Nc1sccc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1CCCCC1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccnc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2ccc3c(c2)OCCO3)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2ccsc2)n1
• InChI: InChI=1S/C20H12F2N4O5S.C17H14F2N4O3.C16H8F2N4O3S2.C15H15F2N3O3.C14H8F2N4O3.C13H8F2N4O3S/c21-20(22)30-15-6-10-11(7-16(15)31-20)25-19(24-10)26-17(27)12-8-32-18(23-12)9-1-2-13-14(5-9)29-4-3-28-13;1-2-20-10-5-3-9(4-6-10)15(24)23-16-21-11-7-13-14(8-12(11)22-16)26-17(18,19)25-13;17-16(18)24-11-3-8-9(4-12(11)25-16)21-15(20-8)22-13(23)10-6-27-14(19-10)7-1-2-26-5-7;16-15(17)22-11-6-9-10(7-12(11)23-15)19-14(18-9)20-13(21)8-4-2-1-3-5-8;15-14(16)22-10-4-8-9(5-11(10)23-14)19-13(18-8)20-12(21)7-2-1-3-17-6-7;14-13(15)21-8-3-6-7(4-9(8)22-13)18-12(17-6)19-11(20)5-1-2-23-10(5)16/h1-2,5-8H,3-4H2,(H2,24,25,26,27);3-8,20H,2H2,1H3,(H2,21,22,23,24);1-6H,(H2,20,21,22,23);6-8H,1-5H2,(H2,18,19,20,21);1-6H,(H2,18,19,20,21);1-4H,16H2,(H2,17,18,19,20)
• InChIKey: VECYXWWPXROYKA-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 552.62 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.95
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 161273468) is 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CCNc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.Nc1sccc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1CCCCC1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccnc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2ccc3c(c2)OCCO3)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2ccsc2)n1.

What is the InChIKey of 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

The InChIKey is VECYXWWPXROYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O5S.C17H14F2N4O3.C16H8F2N4O3S2.C15H15F2N3O3.C14H8F2N4O3.C13H8F2N4O3S/c21-20(22)30-15-6-10-11(7-16(15)31-20)25-19(24-10)26-17(27)12-8-32-18(23-12)9-1-2-13-14(5-9)29-4-3-28-13;1-2-20-10-5-3-9(4-6-10)15(24)23-16-21-11-7-13-14(8-12(11)22-16)26-17(18,19)25-13;17-16(18)24-11-3-8-9(4-12(11)25-16)21-15(20-8)22-13(23)10-6-27-14(19-10)7-1-2-26-5-7;16-15(17)22-11-6-9-10(7-12(11)23-15)19-14(18-9)20-13(21)8-4-2-1-3-5-8;15-14(16)22-10-4-8-9(5-11(10)23-14)19-13(18-8)20-12(21)7-2-1-3-17-6-7;14-13(15)21-8-3-6-7(4-9(8)22-13)18-12(17-6)19-11(20)5-1-2-23-10(5)16/h1-2,5-8H,3-4H2,(H2,24,25,26,27);3-8,20H,2H2,1H3,(H2,21,22,23,24);1-6H,(H2,20,21,22,23);6-8H,1-5H2,(H2,18,19,20,21);1-6H,(H2,18,19,20,21);1-4H,16H2,(H2,17,18,19,20).

What are the key properties of 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?

2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 2204.95 g/mol, XLogP of 20.64, 16 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)thiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161273468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).