1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide

C214H179N31O9 — CID 158383251

IUPAC1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide
SMILESC.CN1CCN(c2ccc3nc(C(=O)Cc4ccc5nc(-c6ccccc6)[nH]c5c4)[nH]c3c2)CC1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1.Cc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.Cc1nc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1-c1ccccc1.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.O=C(/C=C/c1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)[nH]c2c1.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C32H25N3O2.C30H25N3O2.C27H26N6O.C27H21N5O.C27H21N5.C27H21N3O.C22H19N3O.C21H17N3O.CH4/c36-28(18-11-23-7-3-1-4-8-23)21-25-12-19-29-30(22-25)35-32(34-29)26-14-16-27(17-15-26)33-31(37)20-13-24-9-5-2-6-10-24;34-26(17-21-7-3-1-4-8-21)18-23-11-16-27-28(19-23)33-30(32-27)24-12-14-25(15-13-24)31-29(35)20-22-9-5-2-6-10-22;1-32-11-13-33(14-12-32)20-8-10-22-24(17-20)31-27(29-22)25(34)16-18-7-9-21-23(15-18)30-26(28-21)19-5-3-2-4-6-19;1-16-2-12-22-24(14-16)31-26(29-22)17-3-8-20(9-4-17)33-21-10-5-18(6-11-21)27-30-23-13-7-19(28)15-25(23)32-27;1-16-2-12-22-24(14-16)31-26(29-22)19-7-3-17(4-8-19)18-5-9-20(10-6-18)27-30-23-13-11-21(28)15-25(23)32-27;1-19-28-25-18-23(16-17-26(25)30(19)24-10-6-3-7-11-24)29-27(31)22-14-12-21(13-15-22)20-8-4-2-5-9-20;1-14-6-8-17(9-7-14)22(26)23-18-12-10-16(11-13-18)21-24-19-5-3-4-15(2)20(19)25-21;22-17-9-7-15(8-10-17)20(25)13-14-6-11-18-19(12-14)24-21(23-18)16-4-2-1-3-5-16;/h1-20,22H,21H2,(H,33,37)(H,34,35);1-16,19H,17-18,20H2,(H,31,35)(H,32,33);2-10,15,17H,11-14,16H2,1H3,(H,28,30)(H,29,31);2-15H,28H2,1H3,(H,29,31)(H,30,32);2-15H,28H2,1H3,(H,29,31)(H,30,32);2-18H,1H3,(H,29,31);3-13H,1-2H3,(H,23,26)(H,24,25);1-12H,13,22H2,(H,23,24);1H4/b18-11+,20-13+;;;;;;;;
InChIKeyGWBAFUQRTGAKIK-ZUCFMDCDSA-N
MW3328.99 g/mol
LogP45.77
Rot. Bonds39

About 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide

1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide (PubChem CID 158383251) has the molecular formula C214H179N31O9 and a molecular weight of 3328.99 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide
PubChem CID158383251
Molecular FormulaC214H179N31O9
Molecular Weight3328.99 g/mol
Exact Mass3326.45
IUPAC Name1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide
SMILESC.CN1CCN(c2ccc3nc(C(=O)Cc4ccc5nc(-c6ccccc6)[nH]c5c4)[nH]c3c2)CC1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1.Cc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.Cc1nc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1-c1ccccc1.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.O=C(/C=C/c1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)[nH]c2c1.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C32H25N3O2.C30H25N3O2.C27H26N6O.C27H21N5O.C27H21N5.C27H21N3O.C22H19N3O.C21H17N3O.CH4/c36-28(18-11-23-7-3-1-4-8-23)21-25-12-19-29-30(22-25)35-32(34-29)26-14-16-27(17-15-26)33-31(37)20-13-24-9-5-2-6-10-24;34-26(17-21-7-3-1-4-8-21)18-23-11-16-27-28(19-23)33-30(32-27)24-12-14-25(15-13-24)31-29(35)20-22-9-5-2-6-10-22;1-32-11-13-33(14-12-32)20-8-10-22-24(17-20)31-27(29-22)25(34)16-18-7-9-21-23(15-18)30-26(28-21)19-5-3-2-4-6-19;1-16-2-12-22-24(14-16)31-26(29-22)17-3-8-20(9-4-17)33-21-10-5-18(6-11-21)27-30-23-13-7-19(28)15-25(23)32-27;1-16-2-12-22-24(14-16)31-26(29-22)19-7-3-17(4-8-19)18-5-9-20(10-6-18)27-30-23-13-11-21(28)15-25(23)32-27;1-19-28-25-18-23(16-17-26(25)30(19)24-10-6-3-7-11-24)29-27(31)22-14-12-21(13-15-22)20-8-4-2-5-9-20;1-14-6-8-17(9-7-14)22(26)23-18-12-10-16(11-13-18)21-24-19-5-3-4-15(2)20(19)25-21;22-17-9-7-15(8-10-17)20(25)13-14-6-11-18-19(12-14)24-21(23-18)16-4-2-1-3-5-16;/h1-20,22H,21H2,(H,33,37)(H,34,35);1-16,19H,17-18,20H2,(H,31,35)(H,32,33);2-10,15,17H,11-14,16H2,1H3,(H,28,30)(H,29,31);2-15H,28H2,1H3,(H,29,31)(H,30,32);2-15H,28H2,1H3,(H,29,31)(H,30,32);2-18H,1H3,(H,29,31);3-13H,1-2H3,(H,23,26)(H,24,25);1-12H,13,22H2,(H,23,24);1H4/b18-11+,20-13+;;;;;;;;
InChIKeyGWBAFUQRTGAKIK-ZUCFMDCDSA-N
XLogP45.77
TPSA583.07 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003328.99
LogP ≤ 545.77
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide with MolForge

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Related Compounds

N-[5-[[5-[[(3R)-4-[[5-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carboxamide
CID 155532315
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]butanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 155560521
(2S)-N-(2-amino-2-oxoethyl)-N-[4-[methyl-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]butyl]-1-[(2S)-1-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 156013468
(2S)-N-(2-amino-2-oxoethyl)-N-[4-[methyl-[4-[3-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]butyl]-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[4-[3-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 156009972
(2S)-N-(2-amino-2-oxoethyl)-N-[4-[methyl-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]butyl]-1-[(2S)-1-[(2S)-1-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 156010239
(2S)-N-(2-amino-2-oxoethyl)-N-[4-[methyl-[4-[3-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]butyl]-1-[(2S)-1-[(2S)-1-[(2S)-1-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 156012947
N-[4-[(2-amino-2-oxoethyl)-[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[methyl-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]propanoyl]-methylamino]propanoyl]amino]butyl]-N-methyl-4-[3-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 156014336
N-[3-[[2-[[2-[2-aminoethyl-[2-[[2-[2-aminoethyl-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]acetyl]-[(4-methoxyphenyl)methyl]amino]acetyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-amino-2-oxoethyl)amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162645691
N-[3-[(2-amino-2-oxoethyl)-[2-[[2-[[2-[[2-[cyclohexyl-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]acetyl]-[4-(methylamino)butyl]amino]acetyl]-[(4-methoxyphenyl)methyl]amino]acetyl]-[4-(methylamino)butyl]amino]acetyl]amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162668322
4-(2,2-difluoro-11-iodo-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)-N-[4-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butyl]benzamide
CID 172445623
4-(2,2-difluoro-5,11-diiodo-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)-N-[4-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butyl]benzamide
CID 172448898
4-(2,2-difluoro-11-(125I)iodo-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)-N-[4-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butyl](125I)benzamide
CID 172452793

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide?
The IUPAC name of 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide (CID 158383251) is 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide is C.CN1CCN(c2ccc3nc(C(=O)Cc4ccc5nc(-c6ccccc6)[nH]c5c4)[nH]c3c2)CC1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1.Cc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.Cc1nc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1-c1ccccc1.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.O=C(/C=C/c1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)[nH]c2c1.O=C(Cc1ccccc1)Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide?
The InChIKey is GWBAFUQRTGAKIK-ZUCFMDCDSA-N. The full InChI is InChI=1S/C32H25N3O2.C30H25N3O2.C27H26N6O.C27H21N5O.C27H21N5.C27H21N3O.C22H19N3O.C21H17N3O.CH4/c36-28(18-11-23-7-3-1-4-8-23)21-25-12-19-29-30(22-25)35-32(34-29)26-14-16-27(17-15-26)33-31(37)20-13-24-9-5-2-6-10-24;34-26(17-21-7-3-1-4-8-21)18-23-11-16-27-28(19-23)33-30(32-27)24-12-14-25(15-13-24)31-29(35)20-22-9-5-2-6-10-22;1-32-11-13-33(14-12-32)20-8-10-22-24(17-20)31-27(29-22)25(34)16-18-7-9-21-23(15-18)30-26(28-21)19-5-3-2-4-6-19;1-16-2-12-22-24(14-16)31-26(29-22)17-3-8-20(9-4-17)33-21-10-5-18(6-11-21)27-30-23-13-7-19(28)15-25(23)32-27;1-16-2-12-22-24(14-16)31-26(29-22)19-7-3-17(4-8-19)18-5-9-20(10-6-18)27-30-23-13-11-21(28)15-25(23)32-27;1-19-28-25-18-23(16-17-26(25)30(19)24-10-6-3-7-11-24)29-27(31)22-14-12-21(13-15-22)20-8-4-2-5-9-20;1-14-6-8-17(9-7-14)22(26)23-18-12-10-16(11-13-18)21-24-19-5-3-4-15(2)20(19)25-21;22-17-9-7-15(8-10-17)20(25)13-14-6-11-18-19(12-14)24-21(23-18)16-4-2-1-3-5-16;/h1-20,22H,21H2,(H,33,37)(H,34,35);1-16,19H,17-18,20H2,(H,31,35)(H,32,33);2-10,15,17H,11-14,16H2,1H3,(H,28,30)(H,29,31);2-15H,28H2,1H3,(H,29,31)(H,30,32);2-15H,28H2,1H3,(H,29,31)(H,30,32);2-18H,1H3,(H,29,31);3-13H,1-2H3,(H,23,26)(H,24,25);1-12H,13,22H2,(H,23,24);1H4/b18-11+,20-13+;;;;;;;;.
What are the key properties of 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide?
1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 3328.99 g/mol, XLogP of 45.77, 39 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methane;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-phenylbenzamide;1-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;(E)-N-[4-[6-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-benzimidazol-2-yl]phenyl]-3-phenylprop-2-enamide;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 158383251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).