4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone

C158H126ClN21O14 — CID 172952731

About 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone

4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone (PubChem CID 172952731) has the molecular formula C158H126ClN21O14 and a molecular weight of 2578.33 g/mol. Its IUPAC name is 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone.

Molecular Properties

• Compound Name: 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
• PubChem CID: 172952731
• Molecular Formula: C158H126ClN21O14
• Molecular Weight: 2578.33 g/mol
• Exact Mass: 2575.95
• IUPAC Name: 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
• SMILES: COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.Nc1ccc(C(=O)Cc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)nc3c2Cl)cc1.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)[nH]c3c2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1)c1ccccc1.O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccccc2)c1)c1ccccc1
• InChI: InChI=1S/C29H22O3.C28H22ClN5O2.C28H23N5O2.C28H21N3O2.C23H20N4O3.C22H18N4O2/c30-27(23-7-3-1-4-8-23)19-21-11-15-25(16-12-21)29(32)26-17-13-22(14-18-26)20-28(31)24-9-5-2-6-10-24;29-25-19(15-24(35)16-1-8-20(30)9-2-16)7-14-23-26(25)34-27(33-23)17-5-12-22(13-6-17)32-28(36)18-3-10-21(31)11-4-18;29-21-8-2-18(3-9-21)26(34)16-17-1-14-24-25(15-17)33-27(32-24)19-6-12-23(13-7-19)31-28(35)20-4-10-22(30)11-5-20;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-22(15-13-21)28(33)29-23-9-5-2-6-10-23;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;27-21(19-10-3-1-4-11-19)25-23-15-17-8-7-9-18(14-17)16-24-26-22(28)20-12-5-2-6-13-20/h1-18H,19-20H2;1-14H,15,30-31H2,(H,32,36)(H,33,34);1-15H,16,29-30H2,(H,31,35)(H,32,33);1-17H,18H2,(H,29,33)(H,30,31);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);1-16H,(H,25,27)(H,26,28)/b;;;;;23-15+,24-16+
• InChIKey: WRDRXZMPFSDWDV-RWZRHRSVSA-N
• XLogP: 28.96
• TPSA: 572.86 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2578.33
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The IUPAC name of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone (CID 172952731) is 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone.

What is the SMILES notation for 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The canonical SMILES for 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone is COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.Nc1ccc(C(=O)Cc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)nc3c2Cl)cc1.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)[nH]c3c2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1)c1ccccc1.O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccccc2)c1)c1ccccc1.

What is the InChIKey of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The InChIKey is WRDRXZMPFSDWDV-RWZRHRSVSA-N. The full InChI is InChI=1S/C29H22O3.C28H22ClN5O2.C28H23N5O2.C28H21N3O2.C23H20N4O3.C22H18N4O2/c30-27(23-7-3-1-4-8-23)19-21-11-15-25(16-12-21)29(32)26-17-13-22(14-18-26)20-28(31)24-9-5-2-6-10-24;29-25-19(15-24(35)16-1-8-20(30)9-2-16)7-14-23-26(25)34-27(33-23)17-5-12-22(13-6-17)32-28(36)18-3-10-21(31)11-4-18;29-21-8-2-18(3-9-21)26(34)16-17-1-14-24-25(15-17)33-27(32-24)19-6-12-23(13-7-19)31-28(35)20-4-10-22(30)11-5-20;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-22(15-13-21)28(33)29-23-9-5-2-6-10-23;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;27-21(19-10-3-1-4-11-19)25-23-15-17-8-7-9-18(14-17)16-24-26-22(28)20-12-5-2-6-13-20/h1-18H,19-20H2;1-14H,15,30-31H2,(H,32,36)(H,33,34);1-15H,16,29-30H2,(H,31,35)(H,32,33);1-17H,18H2,(H,29,33)(H,30,31);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);1-16H,(H,25,27)(H,26,28)/b;;;;;23-15+,24-16+.

What are the key properties of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone has a molecular weight of 2578.33 g/mol, XLogP of 28.96, 38 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone is sourced from PubChem (CID 172952731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).