2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone

C151H149N43O9S — CID 159599158

IUPAC2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NC#N)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NS(C)(=O)=O)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)N2CCOCC2)nc2cc(-c3cnc(N)nc3)ccc21.CN(C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C)c1ccccn1.CN(C)C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.CNC(=O)c1ccc(C2=NCN=N2)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C28H27N7O.C26H28N6O2.C25H25N9O.C24H20N8O.C24H23N7O3S.C24H26N6O/c1-28(2,3)35-23-13-12-18(19-16-31-27(29)32-17-19)15-22(23)33-25(35)20-9-5-6-10-21(20)26(36)34(4)24-11-7-8-14-30-24;1-26(2,3)32-22-9-8-17(18-15-28-25(27)29-16-18)14-21(22)30-23(32)19-6-4-5-7-20(19)24(33)31-10-12-34-13-11-31;1-25(2,3)34-20-8-6-14(16-11-28-24(26)29-12-16)10-19(20)32-22(34)18-9-15(21-30-13-31-33-21)5-7-17(18)23(35)27-4;1-24(2,3)32-20-7-5-15(16-11-28-23(27)29-12-16)9-19(20)31-21(32)18-8-14(10-25)4-6-17(18)22(33)30-13-26;1-24(2,3)31-20-8-6-15(16-12-27-23(26)28-13-16)10-19(20)29-21(31)18-9-14(11-25)5-7-17(18)22(32)30-35(4,33)34;1-24(2,3)30-20-11-10-15(16-13-26-23(25)27-14-16)12-19(20)28-21(30)17-8-6-7-9-18(17)22(31)29(4)5/h5-17H,1-4H3,(H2,29,31,32);4-9,14-16H,10-13H2,1-3H3,(H2,27,28,29);5-12H,13H2,1-4H3,(H,27,35)(H2,26,28,29);4-9,11-12H,1-3H3,(H,30,33)(H2,27,28,29);5-10,12-13H,1-4H3,(H,30,32)(H2,26,27,28);6-14H,1-5H3,(H2,25,26,27)
InChIKeyMLFWVWMHSIZZSW-UHFFFAOYSA-N
MW2742.21 g/mol
LogP24.00
Rot. Bonds21

About 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 159599158) has the molecular formula C151H149N43O9S and a molecular weight of 2742.21 g/mol. Its IUPAC name is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID159599158
Molecular FormulaC151H149N43O9S
Molecular Weight2742.21 g/mol
Exact Mass2740.22
IUPAC Name2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NC#N)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NS(C)(=O)=O)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)N2CCOCC2)nc2cc(-c3cnc(N)nc3)ccc21.CN(C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C)c1ccccn1.CN(C)C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.CNC(=O)c1ccc(C2=NCN=N2)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C28H27N7O.C26H28N6O2.C25H25N9O.C24H20N8O.C24H23N7O3S.C24H26N6O/c1-28(2,3)35-23-13-12-18(19-16-31-27(29)32-17-19)15-22(23)33-25(35)20-9-5-6-10-21(20)26(36)34(4)24-11-7-8-14-30-24;1-26(2,3)32-22-9-8-17(18-15-28-25(27)29-16-18)14-21(22)30-23(32)19-6-4-5-7-20(19)24(33)31-10-12-34-13-11-31;1-25(2,3)34-20-8-6-14(16-11-28-24(26)29-12-16)10-19(20)32-22(34)18-9-15(21-30-13-31-33-21)5-7-17(18)23(35)27-4;1-24(2,3)32-20-7-5-15(16-11-28-23(27)29-12-16)9-19(20)31-21(32)18-8-14(10-25)4-6-17(18)22(33)30-13-26;1-24(2,3)31-20-8-6-15(16-12-27-23(26)28-13-16)10-19(20)29-21(31)18-9-14(11-25)5-7-17(18)22(32)30-35(4,33)34;1-24(2,3)30-20-11-10-15(16-13-26-23(25)27-14-16)12-19(20)28-21(30)17-8-6-7-9-18(17)22(31)29(4)5/h5-17H,1-4H3,(H2,29,31,32);4-9,14-16H,10-13H2,1-3H3,(H2,27,28,29);5-12H,13H2,1-4H3,(H,27,35)(H2,26,28,29);4-9,11-12H,1-3H3,(H,30,33)(H2,27,28,29);5-10,12-13H,1-4H3,(H,30,32)(H2,26,27,28);6-14H,1-5H3,(H2,25,26,27)
InChIKeyMLFWVWMHSIZZSW-UHFFFAOYSA-N
XLogP24.00
TPSA730.66 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002742.21
LogP ≤ 524.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

5-[3-(4-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212945
N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158117159
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;bis(N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide)
CID 161656296
8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide
CID 162136151
5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870534
4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide
CID 157083526
2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
CID 157100205
5-[8-[4-(Benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157156202
N-(1-adamantyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-[1-(2-methoxyacetyl)piperidin-4-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-propylbenzamide;N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 157470196
4-acetamido-N-[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;4-amino-N-[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;N-benzyl-3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]aniline;4-cyano-N-[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;4-(methanesulfonamido)-N-[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide
CID 157525233
actinium;cyclohexyl(methyl)azanide;1,2-dimethylbenzimidazole;ethane;N-methylacetamide;N-[(N-methylanilino)methyl]acetamide;N-methylbenzamide;3-methyl-1H-benzimidazol-2-one;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylimidazolidin-3-id-2-one;4-methylmorpholine;N-methyl-N-phenylbenzamide;1-methyl-3-phenylurea;1-methylpiperidine;N-methylpropanamide;N-methylpyridin-2-amine;methyl(pyridin-2-yl)azanide;N-methyl-N-pyridin-2-ylbenzamide;1-methylpyrrolidine;1-methylpyrrolidine-2,5-dione;N-phenylacetamide
CID 157569217
N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[3-methyl-4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-[4-[4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide;5-[8-(4-pyrazol-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157717378

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone (CID 159599158) is 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone is CC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NC#N)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NS(C)(=O)=O)nc2cc(-c3cnc(N)nc3)ccc21.CC(C)(C)n1c(-c2ccccc2C(=O)N2CCOCC2)nc2cc(-c3cnc(N)nc3)ccc21.CN(C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C)c1ccccn1.CN(C)C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.CNC(=O)c1ccc(C2=NCN=N2)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.
What is the InChIKey of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is MLFWVWMHSIZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O.C26H28N6O2.C25H25N9O.C24H20N8O.C24H23N7O3S.C24H26N6O/c1-28(2,3)35-23-13-12-18(19-16-31-27(29)32-17-19)15-22(23)33-25(35)20-9-5-6-10-21(20)26(36)34(4)24-11-7-8-14-30-24;1-26(2,3)32-22-9-8-17(18-15-28-25(27)29-16-18)14-21(22)30-23(32)19-6-4-5-7-20(19)24(33)31-10-12-34-13-11-31;1-25(2,3)34-20-8-6-14(16-11-28-24(26)29-12-16)10-19(20)32-22(34)18-9-15(21-30-13-31-33-21)5-7-17(18)23(35)27-4;1-24(2,3)32-20-7-5-15(16-11-28-23(27)29-12-16)9-19(20)31-21(32)18-8-14(10-25)4-6-17(18)22(33)30-13-26;1-24(2,3)31-20-8-6-15(16-12-27-23(26)28-13-16)10-19(20)29-21(31)18-9-14(11-25)5-7-17(18)22(32)30-35(4,33)34;1-24(2,3)30-20-11-10-15(16-13-26-23(25)27-14-16)12-19(20)28-21(30)17-8-6-7-9-18(17)22(31)29(4)5/h5-17H,1-4H3,(H2,29,31,32);4-9,14-16H,10-13H2,1-3H3,(H2,27,28,29);5-12H,13H2,1-4H3,(H,27,35)(H2,26,28,29);4-9,11-12H,1-3H3,(H,30,33)(H2,27,28,29);5-10,12-13H,1-4H3,(H,30,32)(H2,26,27,28);6-14H,1-5H3,(H2,25,26,27).
What are the key properties of 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone?
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 2742.21 g/mol, XLogP of 24.00, 21 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-4-cyano-N-methylsulfonylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,4-dicyanobenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N,N-dimethylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-methyl-4-(3H-1,2,4-triazol-5-yl)benzamide;[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 159599158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).