4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide

C111H81F14N29O23 — CID 161210037

IUPAC4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.CCNc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.CN(C)c1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(NCc2ccccc2)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccn[nH]1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccno1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnco1
InChIInChI=1S/C22H16F2N4O3.C19H18F2N4O3.2C17H14F2N4O3.C12H7F2N5O3.2C12H6F2N4O4/c23-22(24)30-18-10-16-17(11-19(18)31-22)27-21(26-16)28-20(29)14-6-8-15(9-7-14)25-12-13-4-2-1-3-5-13;1-3-25(4-2)12-7-5-11(6-8-12)17(26)24-18-22-13-9-15-16(10-14(13)23-18)28-19(20,21)27-15;1-23(2)10-5-3-9(4-6-10)15(24)22-16-20-11-7-13-14(8-12(11)21-16)26-17(18,19)25-13;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;13-12(14)21-8-3-6-7(4-9(8)22-12)17-11(16-6)18-10(20)5-1-2-15-19-5;13-12(14)21-7-1-5-6(2-8(7)22-12)17-11(16-5)18-10(19)9-3-15-4-20-9;13-12(14)20-8-3-5-6(4-9(8)21-12)17-11(16-5)18-10(19)7-1-2-15-22-7/h1-11,25H,12H2,(H2,26,27,28,29);5-10H,3-4H2,1-2H3,(H2,22,23,24,26);3-8H,1-2H3,(H2,20,21,22,24);3-8,20H,2H2,1H3,(H2,21,22,23,24);1-4H,(H,15,19)(H2,16,17,18,20);2*1-4H,(H2,16,17,18,19)
InChIKeyUWCPIIXNENOOPE-UHFFFAOYSA-N
MW2455.02 g/mol
LogP21.61
Rot. Bonds23

About 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide

4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide (PubChem CID 161210037) has the molecular formula C111H81F14N29O23 and a molecular weight of 2455.02 g/mol. Its IUPAC name is 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
PubChem CID161210037
Molecular FormulaC111H81F14N29O23
Molecular Weight2455.02 g/mol
Exact Mass2453.58
IUPAC Name4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.CCNc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.CN(C)c1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(NCc2ccccc2)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccn[nH]1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccno1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnco1
InChIInChI=1S/C22H16F2N4O3.C19H18F2N4O3.2C17H14F2N4O3.C12H7F2N5O3.2C12H6F2N4O4/c23-22(24)30-18-10-16-17(11-19(18)31-22)27-21(26-16)28-20(29)14-6-8-15(9-7-14)25-12-13-4-2-1-3-5-13;1-3-25(4-2)12-7-5-11(6-8-12)17(26)24-18-22-13-9-15-16(10-14(13)23-18)28-19(20,21)27-15;1-23(2)10-5-3-9(4-6-10)15(24)22-16-20-11-7-13-14(8-12(11)21-16)26-17(18,19)25-13;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;13-12(14)21-8-3-6-7(4-9(8)22-12)17-11(16-6)18-10(20)5-1-2-15-19-5;13-12(14)21-7-1-5-6(2-8(7)22-12)17-11(16-5)18-10(19)9-3-15-4-20-9;13-12(14)20-8-3-5-6(4-9(8)21-12)17-11(16-5)18-10(19)7-1-2-15-22-7/h1-11,25H,12H2,(H2,26,27,28,29);5-10H,3-4H2,1-2H3,(H2,22,23,24,26);3-8H,1-2H3,(H2,20,21,22,24);3-8,20H,2H2,1H3,(H2,21,22,23,24);1-4H,(H,15,19)(H2,16,17,18,20);2*1-4H,(H2,16,17,18,19)
InChIKeyUWCPIIXNENOOPE-UHFFFAOYSA-N
XLogP21.61
TPSA644.96 Ų
H-Bond Donors17
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002455.02
LogP ≤ 521.61
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1037

Analyze 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;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-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide
CID 157126126
1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 157158634
N-[5-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
CID 157927510
1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(4-fluorophenyl)urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide
CID 160214112
4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
CID 160792937
1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(4-methylphenyl)urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide
CID 161805047
3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 158980374
3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide
CID 159595043
3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(4-methylphenyl)triazole-4-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylpropanamide
CID 159901315
tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide
CID 167657307

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide (CID 161210037) is 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide is CCN(CC)c1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.CCNc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.CN(C)c1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(NCc2ccccc2)cc1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccn[nH]1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccno1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnco1.
What is the InChIKey of 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UWCPIIXNENOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O3.C19H18F2N4O3.2C17H14F2N4O3.C12H7F2N5O3.2C12H6F2N4O4/c23-22(24)30-18-10-16-17(11-19(18)31-22)27-21(26-16)28-20(29)14-6-8-15(9-7-14)25-12-13-4-2-1-3-5-13;1-3-25(4-2)12-7-5-11(6-8-12)17(26)24-18-22-13-9-15-16(10-14(13)23-18)28-19(20,21)27-15;1-23(2)10-5-3-9(4-6-10)15(24)22-16-20-11-7-13-14(8-12(11)21-16)26-17(18,19)25-13;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;13-12(14)21-8-3-6-7(4-9(8)22-12)17-11(16-6)18-10(20)5-1-2-15-19-5;13-12(14)21-7-1-5-6(2-8(7)22-12)17-11(16-5)18-10(19)9-3-15-4-20-9;13-12(14)20-8-3-5-6(4-9(8)21-12)17-11(16-5)18-10(19)7-1-2-15-22-7/h1-11,25H,12H2,(H2,26,27,28,29);5-10H,3-4H2,1-2H3,(H2,22,23,24,26);3-8H,1-2H3,(H2,20,21,22,24);3-8,20H,2H2,1H3,(H2,21,22,23,24);1-4H,(H,15,19)(H2,16,17,18,20);2*1-4H,(H2,16,17,18,19).
What are the key properties of 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide?
4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 2455.02 g/mol, XLogP of 21.61, 23 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;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)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 161210037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).