3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide

C155H133F18N31O9 — CID 159409798

IUPAC3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(N(C)c2nc3cc(-c4cccnc4)c(C(F)(F)F)cc3n2C)c1.CNC(=O)c1cccc(N(C)c2nc3cc(C(F)(F)F)c(-c4ccccc4)cc3n2C)c1.CNC(=O)c1cccc(N(C)c2nc3cc(C(F)(F)F)c(-c4cccnc4)cc3n2C)c1.CNC(=O)c1cccc(NC2=Nc3cc4c(cc3C2)OCCO4)c1.CNC(=O)c1cccc(Nc2nc3cc(-c4cccnc4)c(C(F)(F)F)cc3n2C)c1.CNC(=O)c1cccc(Nc2nc3cc(C(F)(F)F)c(-c4ccccc4)cc3n2C)c1.CNC(=O)c1cccc(Nc2nc3cc(C(F)(F)F)c(-c4cccnc4)cc3n2C)c1
InChIInChI=1S/C24H21F3N4O.2C23H20F3N5O.C23H19F3N4O.2C22H18F3N5O.C18H17N3O3/c1-28-22(32)16-10-7-11-17(12-16)30(2)23-29-20-14-19(24(25,26)27)18(13-21(20)31(23)3)15-8-5-4-6-9-15;1-27-21(32)14-6-4-8-16(10-14)30(2)22-29-19-12-18(23(24,25)26)17(11-20(19)31(22)3)15-7-5-9-28-13-15;1-27-21(32)14-6-4-8-16(10-14)30(2)22-29-19-11-17(15-7-5-9-28-13-15)18(23(24,25)26)12-20(19)31(22)3;1-27-21(31)15-9-6-10-16(11-15)28-22-29-19-13-18(23(24,25)26)17(12-20(19)30(22)2)14-7-4-3-5-8-14;1-26-20(31)13-5-3-7-15(9-13)28-21-29-18-11-17(22(23,24)25)16(10-19(18)30(21)2)14-6-4-8-27-12-14;1-26-20(31)13-5-3-7-15(9-13)28-21-29-18-10-16(14-6-4-8-27-12-14)17(22(23,24)25)11-19(18)30(21)2;1-19-18(22)11-3-2-4-13(7-11)20-17-9-12-8-15-16(10-14(12)21-17)24-6-5-23-15/h4-14H,1-3H3,(H,28,32);2*4-13H,1-3H3,(H,27,32);3-13H,1-2H3,(H,27,31)(H,28,29);2*3-12H,1-2H3,(H,26,31)(H,28,29);2-4,7-8,10H,5-6,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyLOKYRCCRWLSSJD-UHFFFAOYSA-N
MW2915.94 g/mol
LogP32.34
Rot. Bonds26

About 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide

3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide (PubChem CID 159409798) has the molecular formula C155H133F18N31O9 and a molecular weight of 2915.94 g/mol. Its IUPAC name is 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide
PubChem CID159409798
Molecular FormulaC155H133F18N31O9
Molecular Weight2915.94 g/mol
Exact Mass2914.06
IUPAC Name3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(N(C)c2nc3cc(-c4cccnc4)c(C(F)(F)F)cc3n2C)c1.CNC(=O)c1cccc(N(C)c2nc3cc(C(F)(F)F)c(-c4ccccc4)cc3n2C)c1.CNC(=O)c1cccc(N(C)c2nc3cc(C(F)(F)F)c(-c4cccnc4)cc3n2C)c1.CNC(=O)c1cccc(NC2=Nc3cc4c(cc3C2)OCCO4)c1.CNC(=O)c1cccc(Nc2nc3cc(-c4cccnc4)c(C(F)(F)F)cc3n2C)c1.CNC(=O)c1cccc(Nc2nc3cc(C(F)(F)F)c(-c4ccccc4)cc3n2C)c1.CNC(=O)c1cccc(Nc2nc3cc(C(F)(F)F)c(-c4cccnc4)cc3n2C)c1
InChIInChI=1S/C24H21F3N4O.2C23H20F3N5O.C23H19F3N4O.2C22H18F3N5O.C18H17N3O3/c1-28-22(32)16-10-7-11-17(12-16)30(2)23-29-20-14-19(24(25,26)27)18(13-21(20)31(23)3)15-8-5-4-6-9-15;1-27-21(32)14-6-4-8-16(10-14)30(2)22-29-19-12-18(23(24,25)26)17(11-20(19)31(22)3)15-7-5-9-28-13-15;1-27-21(32)14-6-4-8-16(10-14)30(2)22-29-19-11-17(15-7-5-9-28-13-15)18(23(24,25)26)12-20(19)31(22)3;1-27-21(31)15-9-6-10-16(11-15)28-22-29-19-13-18(23(24,25)26)17(12-20(19)30(22)2)14-7-4-3-5-8-14;1-26-20(31)13-5-3-7-15(9-13)28-21-29-18-11-17(22(23,24)25)16(10-19(18)30(21)2)14-6-4-8-27-12-14;1-26-20(31)13-5-3-7-15(9-13)28-21-29-18-10-16(14-6-4-8-27-12-14)17(22(23,24)25)11-19(18)30(21)2;1-19-18(22)11-3-2-4-13(7-11)20-17-9-12-8-15-16(10-14(12)21-17)24-6-5-23-15/h4-14H,1-3H3,(H,28,32);2*4-13H,1-3H3,(H,27,32);3-13H,1-2H3,(H,27,31)(H,28,29);2*3-12H,1-2H3,(H,26,31)(H,28,29);2-4,7-8,10H,5-6,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyLOKYRCCRWLSSJD-UHFFFAOYSA-N
XLogP32.34
TPSA450.84 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002915.94
LogP ≤ 532.34
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide with MolForge

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Related Compounds

2-[(3-Imidazol-1-ylpropylamino)methyl]-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one
CID 46918851
1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[8-[3-[1-[2-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indol-3-yl]-3-oxopropoxy]-6-methyl-3,4-dihydro-2H-chromen-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 123903036
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[8-[3-[1-[2-[(2S,4R)-2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indol-3-yl]-3-oxopropoxy]-6-methyl-3,4-dihydro-2H-chromen-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 144912192
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
5-(3-cyclopentylimidazo[1,5-a]pyridin-8-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(2,3,4,6-tetradeuterio-5-methylphenyl)pyridine-3-carboxamide;2-methyl-N-(4-methylphenyl)-5-[3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 157838085
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
CID 158340660
CID 158356893
CID 158356893
N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 158426668
1-[2-(2-Chloro-3-methylanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-(3-fluoro-5-methylanilino)pyrimidin-4-yl]indole-3-carboxamide;bis(1-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]indole-3-carboxamide);1-[2-[3-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 158471375
4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
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(E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1'-(6,7-dimethoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide;(4-piperidin-1-ylphenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 158869938

Frequently Asked Questions

What is the IUPAC name of 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide?
The IUPAC name of 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide (CID 159409798) is 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide.
What is the SMILES notation for 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide?
The canonical SMILES for 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide is CNC(=O)c1cccc(N(C)c2nc3cc(-c4cccnc4)c(C(F)(F)F)cc3n2C)c1.CNC(=O)c1cccc(N(C)c2nc3cc(C(F)(F)F)c(-c4ccccc4)cc3n2C)c1.CNC(=O)c1cccc(N(C)c2nc3cc(C(F)(F)F)c(-c4cccnc4)cc3n2C)c1.CNC(=O)c1cccc(NC2=Nc3cc4c(cc3C2)OCCO4)c1.CNC(=O)c1cccc(Nc2nc3cc(-c4cccnc4)c(C(F)(F)F)cc3n2C)c1.CNC(=O)c1cccc(Nc2nc3cc(C(F)(F)F)c(-c4ccccc4)cc3n2C)c1.CNC(=O)c1cccc(Nc2nc3cc(C(F)(F)F)c(-c4cccnc4)cc3n2C)c1.
What is the InChIKey of 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide?
The InChIKey is LOKYRCCRWLSSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O.2C23H20F3N5O.C23H19F3N4O.2C22H18F3N5O.C18H17N3O3/c1-28-22(32)16-10-7-11-17(12-16)30(2)23-29-20-14-19(24(25,26)27)18(13-21(20)31(23)3)15-8-5-4-6-9-15;1-27-21(32)14-6-4-8-16(10-14)30(2)22-29-19-12-18(23(24,25)26)17(11-20(19)31(22)3)15-7-5-9-28-13-15;1-27-21(32)14-6-4-8-16(10-14)30(2)22-29-19-11-17(15-7-5-9-28-13-15)18(23(24,25)26)12-20(19)31(22)3;1-27-21(31)15-9-6-10-16(11-15)28-22-29-19-13-18(23(24,25)26)17(12-20(19)30(22)2)14-7-4-3-5-8-14;1-26-20(31)13-5-3-7-15(9-13)28-21-29-18-11-17(22(23,24)25)16(10-19(18)30(21)2)14-6-4-8-27-12-14;1-26-20(31)13-5-3-7-15(9-13)28-21-29-18-10-16(14-6-4-8-27-12-14)17(22(23,24)25)11-19(18)30(21)2;1-19-18(22)11-3-2-4-13(7-11)20-17-9-12-8-15-16(10-14(12)21-17)24-6-5-23-15/h4-14H,1-3H3,(H,28,32);2*4-13H,1-3H3,(H,27,32);3-13H,1-2H3,(H,27,31)(H,28,29);2*3-12H,1-2H3,(H,26,31)(H,28,29);2-4,7-8,10H,5-6,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide?
3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide has a molecular weight of 2915.94 g/mol, XLogP of 32.34, 26 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide is sourced from PubChem (CID 159409798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).