4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C180H129Cl5F6N28O16 — CID 159213643

IUPAC4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(OC)cc5)cc4[nH]3)cc2)cc1.Nc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(NC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(/C=N/c5ccccc5O)cc4)ccc3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C41H30N6O4.C29H18F6N4O2.C29H24N4O4.C27H16Cl4N4O2.C27H21ClN6O2.C27H20N4O2/c48-37-7-3-1-5-30(37)25-42-31-17-15-29(16-18-31)40(50)44-32-19-13-27(14-20-32)39-46-34-22-21-33(23-36(34)47-39)45-41(51)28-11-9-26(10-12-28)24-43-35-6-2-4-8-38(35)49;30-28(31,32)19-7-1-17(2-8-19)26(40)36-21-11-5-16(6-12-21)25-38-23-14-13-22(15-24(23)39-25)37-27(41)18-3-9-20(10-4-18)29(33,34)35;1-36-23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(37-2)15-8-20;28-19-8-3-15(11-21(19)30)26(36)32-17-5-1-14(2-6-17)25-34-23-10-7-18(13-24(23)35-25)33-27(37)16-4-9-20(29)22(31)12-16;28-23-21(33-27(36)17-3-9-19(30)10-4-17)13-14-22-24(23)34-25(32-22)15-5-11-20(12-6-15)31-26(35)16-1-7-18(29)8-2-16;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h1-25,48-49H,(H,44,50)(H,45,51)(H,46,47);1-15H,(H,36,40)(H,37,41)(H,38,39);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-13H,(H,32,36)(H,33,37)(H,34,35);1-14H,29-30H2,(H,31,35)(H,32,34)(H,33,36);1-17H,(H,28,32)(H,29,33)(H,30,31)/b42-25+,43-24+;;;;;
InChIKeyKQUOZCMNJFESSH-OTAUCJQFSA-N
MW3231.44 g/mol
LogP41.81
Rot. Bonds36

About 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide

4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 159213643) has the molecular formula C180H129Cl5F6N28O16 and a molecular weight of 3231.44 g/mol. Its IUPAC name is 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID159213643
Molecular FormulaC180H129Cl5F6N28O16
Molecular Weight3231.44 g/mol
Exact Mass3226.85
IUPAC Name4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(OC)cc5)cc4[nH]3)cc2)cc1.Nc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(NC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(/C=N/c5ccccc5O)cc4)ccc3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C41H30N6O4.C29H18F6N4O2.C29H24N4O4.C27H16Cl4N4O2.C27H21ClN6O2.C27H20N4O2/c48-37-7-3-1-5-30(37)25-42-31-17-15-29(16-18-31)40(50)44-32-19-13-27(14-20-32)39-46-34-22-21-33(23-36(34)47-39)45-41(51)28-11-9-26(10-12-28)24-43-35-6-2-4-8-38(35)49;30-28(31,32)19-7-1-17(2-8-19)26(40)36-21-11-5-16(6-12-21)25-38-23-14-13-22(15-24(23)39-25)37-27(41)18-3-9-20(10-4-18)29(33,34)35;1-36-23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(37-2)15-8-20;28-19-8-3-15(11-21(19)30)26(36)32-17-5-1-14(2-6-17)25-34-23-10-7-18(13-24(23)35-25)33-27(37)16-4-9-20(29)22(31)12-16;28-23-21(33-27(36)17-3-9-19(30)10-4-17)13-14-22-24(23)34-25(32-22)15-5-11-20(12-6-15)31-26(35)16-1-7-18(29)8-2-16;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h1-25,48-49H,(H,44,50)(H,45,51)(H,46,47);1-15H,(H,36,40)(H,37,41)(H,38,39);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-13H,(H,32,36)(H,33,37)(H,34,35);1-14H,29-30H2,(H,31,35)(H,32,34)(H,33,36);1-17H,(H,28,32)(H,29,33)(H,30,31)/b42-25+,43-24+;;;;;
InChIKeyKQUOZCMNJFESSH-OTAUCJQFSA-N
XLogP41.81
TPSA656.96 Ų
H-Bond Donors22
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003231.44
LogP ≤ 541.81
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide with MolForge

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Related Compounds

N-[4-[5-benzamido-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;3-chloro-N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-methylbenzamide;3-chloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;6-chloro-2-(2-methoxy-4-methylphenyl)-1H-benzimidazole;N-[4-[6-[(4-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;methane;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 159069223
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 160881114
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;4-chloro-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;bis(4-cyano-N-[4-[6-[(4-isocyanobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide);N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 158695405
N-[4-[6-(6-acetamido-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]acetamide;4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;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;methyl 4-[2-(2-phenyl-3H-benzimidazol-5-yl)acetyl]benzoate;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 158711789
3-chloro-N-[4-[6-[(3-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-4-methoxybenzamide;2,4-dichloro-N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;3,5-dichloro-N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;3,4-dichloro-N-[2-[3-[(3,4-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
CID 159414927
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-chlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]pyridine-3-carboxamide;2,3,4,5,6-pentafluoro-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 160835480
4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[2-[4-[[4-(benzylideneamino)benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]-4-(phenyliminomethyl)benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3-methylbenzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide
CID 161294934
N-[4-[5-benzamido-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]phenyl]benzamide;4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-fluoro-N-[4-[6-[(4-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 162242823

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 159213643) is 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(OC)cc5)cc4[nH]3)cc2)cc1.Nc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(NC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(/C=N/c5ccccc5O)cc4)ccc3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is KQUOZCMNJFESSH-OTAUCJQFSA-N. The full InChI is InChI=1S/C41H30N6O4.C29H18F6N4O2.C29H24N4O4.C27H16Cl4N4O2.C27H21ClN6O2.C27H20N4O2/c48-37-7-3-1-5-30(37)25-42-31-17-15-29(16-18-31)40(50)44-32-19-13-27(14-20-32)39-46-34-22-21-33(23-36(34)47-39)45-41(51)28-11-9-26(10-12-28)24-43-35-6-2-4-8-38(35)49;30-28(31,32)19-7-1-17(2-8-19)26(40)36-21-11-5-16(6-12-21)25-38-23-14-13-22(15-24(23)39-25)37-27(41)18-3-9-20(10-4-18)29(33,34)35;1-36-23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(37-2)15-8-20;28-19-8-3-15(11-21(19)30)26(36)32-17-5-1-14(2-6-17)25-34-23-10-7-18(13-24(23)35-25)33-27(37)16-4-9-20(29)22(31)12-16;28-23-21(33-27(36)17-3-9-19(30)10-4-17)13-14-22-24(23)34-25(32-22)15-5-11-20(12-6-15)31-26(35)16-1-7-18(29)8-2-16;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h1-25,48-49H,(H,44,50)(H,45,51)(H,46,47);1-15H,(H,36,40)(H,37,41)(H,38,39);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-13H,(H,32,36)(H,33,37)(H,34,35);1-14H,29-30H2,(H,31,35)(H,32,34)(H,33,36);1-17H,(H,28,32)(H,29,33)(H,30,31)/b42-25+,43-24+;;;;;.
What are the key properties of 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 3231.44 g/mol, XLogP of 41.81, 36 rotatable bonds, 22 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 159213643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).