2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide

C95H71F10N29O20S4 — CID 158190893

About 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxamide

2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 158190893) has the molecular formula C95H71F10N29O20S4 and a molecular weight of 2257.04 g/mol. Its IUPAC name is 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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: 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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: 158190893
• Molecular Formula: C95H71F10N29O20S4
• Molecular Weight: 2257.04 g/mol
• Exact Mass: 2255.42
• IUPAC Name: 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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: CC(=O)NC1=NCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=N1.COc1cc(Cc2nc(C(=O)Nc3cc4cc5c(cc4[nH]3)OC(F)(F)O5)cs2)nc(OC)n1.O=C(Nc1cc2cc3c(cc2[nH]1)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.C14H10F2N6O4.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(23-19(27-16)30-2)6-17-25-12(8-33-17)18(28)26-15-4-9-3-13-14(7-11(9)24-15)32-20(21,22)31-13;1-5(23)18-12-17-4-8(21-12)11(24)22-13-19-6-2-9-10(3-7(6)20-13)26-14(15,16)25-9;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/h1-4,11-14,29H,5-10H2,(H,31,35);3,6-11H,1-2,4-5H2,(H2,29,30,31,33);3-5,7-8,24H,6H2,1-2H3,(H,26,28);2-3H,4H2,1H3,(H,17,18,23)(H2,19,20,22,24);1-2,4H,3H2,(H2,17,18,19,20)
• InChIKey: FZSVIDMZZRXJBP-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 585.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 20
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2257.04
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 158190893) is 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 CC(=O)NC1=NCC(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)=N1.COc1cc(Cc2nc(C(=O)Nc3cc4cc5c(cc4[nH]3)OC(F)(F)O5)cs2)nc(OC)n1.O=C(Nc1cc2cc3c(cc2[nH]1)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 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 FZSVIDMZZRXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O5S.C23H17F2N7O3S2.C20H15F2N5O5S.C14H10F2N6O4.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(23-19(27-16)30-2)6-17-25-12(8-33-17)18(28)26-15-4-9-3-13-14(7-11(9)24-15)32-20(21,22)31-13;1-5(23)18-12-17-4-8(21-12)11(24)22-13-19-6-2-9-10(3-7(6)20-13)26-14(15,16)25-9;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/h1-4,11-14,29H,5-10H2,(H,31,35);3,6-11H,1-2,4-5H2,(H2,29,30,31,33);3-5,7-8,24H,6H2,1-2H3,(H,26,28);2-3H,4H2,1H3,(H,17,18,23)(H2,19,20,22,24);1-2,4H,3H2,(H2,17,18,19,20).

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

2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 2257.04 g/mol, XLogP of 14.29, 20 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-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)-4H-imidazole-5-carboxamide;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-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[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 158190893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).