N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide

C101H62F21N31O23S4 — CID 159053222

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 159053222) has the molecular formula C101H62F21N31O23S4 and a molecular weight of 2605.03 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide
• PubChem CID: 159053222
• Molecular Formula: C101H62F21N31O23S4
• Molecular Weight: 2605.03 g/mol
• Exact Mass: 2603.32
• IUPAC Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)s1.Cc1cc(C(F)(F)F)nc(Nc2nc(C(=O)Nc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cs2)n1.O=C(Nc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)Nc1ccccc1OC(F)(F)F.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnccn1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1coc(N2CCOCC2)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
• InChI: InChI=1S/C20H11F5N6O5S.C19H10F5N5O4S.C18H10F5N7O3S.C16H13F2N5O5.C15H11F2N3O3S.C13H7F2N5O3/c21-19(22,23)34-12-4-2-1-3-8(12)28-17(33)31-18-29-11(7-37-18)15(32)30-16-26-9-5-13-14(6-10(9)27-16)36-20(24,25)35-13;20-18(21,22)31-9-3-1-8(2-4-9)25-17-28-12(7-34-17)15(30)29-16-26-10-5-13-14(6-11(10)27-16)33-19(23,24)32-13;1-6-2-12(17(19,20)21)28-14(24-6)30-16-27-9(5-34-16)13(31)29-15-25-7-3-10-11(4-8(7)26-15)33-18(22,23)32-10;17-16(18)27-11-5-8-9(6-12(11)28-16)20-14(19-8)22-13(24)10-7-26-15(21-10)23-1-3-25-4-2-23;1-6-3-8(7(2)24-6)13(21)20-14-18-9-4-11-12(5-10(9)19-14)23-15(16,17)22-11;14-13(15)22-9-3-6-7(4-10(9)23-13)19-12(18-6)20-11(21)8-5-16-1-2-17-8/h1-7H,(H2,26,27,30,32)(H2,28,29,31,33);1-7H,(H,25,28)(H2,26,27,29,30);2-5H,1H3,(H,24,27,28,30)(H2,25,26,29,31);5-7H,1-4H2,(H2,19,20,22,24);3-5H,1-2H3,(H2,18,19,20,21);1-5H,(H2,18,19,20,21)
• InChIKey: JXNOMZQZQMEQHM-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 669.82 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2605.03
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide (CID 159053222) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-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)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide is Cc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)s1.Cc1cc(C(F)(F)F)nc(Nc2nc(C(=O)Nc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cs2)n1.O=C(Nc1nc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)Nc1ccccc1OC(F)(F)F.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnccn1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1coc(N2CCOCC2)n1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1.

What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?

The InChIKey is JXNOMZQZQMEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N6O5S.C19H10F5N5O4S.C18H10F5N7O3S.C16H13F2N5O5.C15H11F2N3O3S.C13H7F2N5O3/c21-19(22,23)34-12-4-2-1-3-8(12)28-17(33)31-18-29-11(7-37-18)15(32)30-16-26-9-5-13-14(6-10(9)27-16)36-20(24,25)35-13;20-18(21,22)31-9-3-1-8(2-4-9)25-17-28-12(7-34-17)15(30)29-16-26-10-5-13-14(6-11(10)27-16)33-19(23,24)32-13;1-6-2-12(17(19,20)21)28-14(24-6)30-16-27-9(5-34-16)13(31)29-15-25-7-3-10-11(4-8(7)26-15)33-18(22,23)32-10;17-16(18)27-11-5-8-9(6-12(11)28-16)20-14(19-8)22-13(24)10-7-26-15(21-10)23-1-3-25-4-2-23;1-6-3-8(7(2)24-6)13(21)20-14-18-9-4-11-12(5-10(9)19-14)23-15(16,17)22-11;14-13(15)22-9-3-6-7(4-10(9)23-13)19-12(18-6)20-11(21)8-5-16-1-2-17-8/h1-7H,(H2,26,27,30,32)(H2,28,29,31,33);1-7H,(H,25,28)(H2,26,27,29,30);2-5H,1H3,(H,24,27,28,30)(H2,25,26,29,31);5-7H,1-4H2,(H2,19,20,22,24);3-5H,1-2H3,(H2,18,19,20,21);1-5H,(H2,18,19,20,21).

What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 2605.03 g/mol, XLogP of 22.53, 21 rotatable bonds, 16 hydrogen bond donors, and 44 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)-2,5-dimethylthiophene-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-morpholin-4-yl-1,3-oxazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159053222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).