3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide

C106H58Cl3F12N29O26S3 — CID 162008368

About 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide

3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide (PubChem CID 162008368) has the molecular formula C106H58Cl3F12N29O26S3 and a molecular weight of 2584.34 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide
• PubChem CID: 162008368
• Molecular Formula: C106H58Cl3F12N29O26S3
• Molecular Weight: 2584.34 g/mol
• Exact Mass: 2581.21
• IUPAC Name: 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide
• SMILES: Nc1nccnc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.O=C(/C=C/c1ccccc1)Nc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)co1.O=C(Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1coc(NC(=O)c2ccco2)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2cccc(Cl)c2Cl)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccco2)n1
• InChI: InChI=1S/C21H13F2N5O5.C20H11ClF2N4O4S.C18H8Cl2F2N4O3S.C17H9F2N5O6.C17H9F2N5O5S.C13H8F2N6O3/c22-21(23)32-15-8-12-13(9-16(15)33-21)25-19(24-12)28-18(30)14-10-31-20(26-14)27-17(29)7-6-11-4-2-1-3-5-11;21-10-3-1-9(2-4-10)14(28)7-17-24-13(8-32-17)18(29)27-19-25-11-5-15-16(6-12(11)26-19)31-20(22,23)30-15;19-8-3-1-2-7(14(8)20)16-23-11(6-30-16)15(27)26-17-24-9-4-12-13(5-10(9)25-17)29-18(21,22)28-12;18-17(19)29-11-4-7-8(5-12(11)30-17)21-15(20-7)23-13(25)9-6-28-16(22-9)24-14(26)10-2-1-3-27-10;18-17(19)28-11-4-7-8(5-12(11)29-17)21-15(20-7)23-13(25)9-6-30-16(22-9)24-14(26)10-2-1-3-27-10;14-13(15)23-7-3-5-6(4-8(7)24-13)20-12(19-5)21-11(22)9-10(16)18-2-1-17-9/h1-10H,(H,26,27,29)(H2,24,25,28,30);1-6,8H,7H2,(H2,25,26,27,29);1-6H,(H2,24,25,26,27);2*1-6H,(H,22,24,26)(H2,20,21,23,25);1-4H,(H2,16,18)(H2,19,20,21,22)/b7-6+
• InChIKey: YTDHXNNPORGYEL-HEANBJSFSA-N
• XLogP: 21.93
• TPSA: 730.62 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.34
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide?

The IUPAC name of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide (CID 162008368) is 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide is Nc1nccnc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.O=C(/C=C/c1ccccc1)Nc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)co1.O=C(Cc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)c1ccc(Cl)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1coc(NC(=O)c2ccco2)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(-c2cccc(Cl)c2Cl)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccco2)n1.

What is the InChIKey of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide?

The InChIKey is YTDHXNNPORGYEL-HEANBJSFSA-N. The full InChI is InChI=1S/C21H13F2N5O5.C20H11ClF2N4O4S.C18H8Cl2F2N4O3S.C17H9F2N5O6.C17H9F2N5O5S.C13H8F2N6O3/c22-21(23)32-15-8-12-13(9-16(15)33-21)25-19(24-12)28-18(30)14-10-31-20(26-14)27-17(29)7-6-11-4-2-1-3-5-11;21-10-3-1-9(2-4-10)14(28)7-17-24-13(8-32-17)18(29)27-19-25-11-5-15-16(6-12(11)26-19)31-20(22,23)30-15;19-8-3-1-2-7(14(8)20)16-23-11(6-30-16)15(27)26-17-24-9-4-12-13(5-10(9)25-17)29-18(21,22)28-12;18-17(19)29-11-4-7-8(5-12(11)30-17)21-15(20-7)23-13(25)9-6-28-16(22-9)24-14(26)10-2-1-3-27-10;18-17(19)28-11-4-7-8(5-12(11)29-17)21-15(20-7)23-13(25)9-6-30-16(22-9)24-14(26)10-2-1-3-27-10;14-13(15)23-7-3-5-6(4-8(7)24-13)20-12(19-5)21-11(22)9-10(16)18-2-1-17-9/h1-10H,(H,26,27,29)(H2,24,25,28,30);1-6,8H,7H2,(H2,25,26,27,29);1-6H,(H2,24,25,26,27);2*1-6H,(H,22,24,26)(H2,20,21,23,25);1-4H,(H2,16,18)(H2,19,20,21,22)/b7-6+;;;;;.

What are the key properties of 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide?

3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide has a molecular weight of 2584.34 g/mol, XLogP of 21.93, 23 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;2-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;2-(2,3-dichlorophenyl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(furan-2-carbonylamino)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 162008368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).