4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide

C173H145Cl2N23O13 — CID 158466829

About 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide

4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 158466829) has the molecular formula C173H145Cl2N23O13 and a molecular weight of 2825.12 g/mol. Its IUPAC name is 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide
• PubChem CID: 158466829
• Molecular Formula: C173H145Cl2N23O13
• Molecular Weight: 2825.12 g/mol
• Exact Mass: 2822.08
• IUPAC Name: 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide
• SMILES: CC(=O)Cc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(NC(C)=O)cc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N(C)C)cc5)cc4)[nH]c3c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(CC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2Cl)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(CC(=O)c5ccc(N)cc5)cc4[nH]3)cc2)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1)c1ccccc1
• InChI: InChI=1S/C33H28N4O4.C32H31N5O2.C29H22Cl2N4O2.C29H24N4O2.C28H21N3O2.C22H19N3O/c1-20(38)17-22-3-6-24(7-4-22)31(40)19-23-5-16-29-30(18-23)37-32(36-29)25-8-12-28(13-9-25)35-33(41)26-10-14-27(15-11-26)34-21(2)39;1-36(2)26-14-8-22(9-15-26)30(38)20-21-5-18-28-29(19-21)35-31(34-28)23-6-12-25(13-7-23)33-32(39)24-10-16-27(17-11-24)37(3)4;1-16-2-4-18(5-3-16)29(37)34-23-12-9-20(14-22(23)30)28-33-24-13-8-19(26(31)27(24)35-28)15-25(36)17-6-10-21(32)11-7-17;1-18-2-5-22(6-3-18)29(35)31-24-13-9-21(10-14-24)28-32-25-15-4-19(16-26(25)33-28)17-27(34)20-7-11-23(30)12-8-20;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-23(15-13-21)29-28(33)22-9-5-2-6-10-22;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/h3-16,18H,17,19H2,1-2H3,(H,34,39)(H,35,41)(H,36,37);5-19H,20H2,1-4H3,(H,33,39)(H,34,35);2-14H,15,32H2,1H3,(H,33,35)(H,34,37);2-16H,17,30H2,1H3,(H,31,35)(H,32,33);1-17H,18H2,(H,29,33)(H,30,31);3-13H,1-2H3,(H,23,26)(H,24,25)
• InChIKey: HFVXVYSAMNQHHL-UHFFFAOYSA-N
• XLogP: 35.95
• TPSA: 536.72 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2825.12
LogP ≤ 5	35.95
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?

The IUPAC name of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide (CID 158466829) is 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide.

What is the SMILES notation for 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?

The canonical SMILES for 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide is CC(=O)Cc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(NC(C)=O)cc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N(C)C)cc5)cc4)[nH]c3c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(CC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2Cl)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(CC(=O)c5ccc(N)cc5)cc4[nH]3)cc2)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1)c1ccccc1.

What is the InChIKey of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?

The InChIKey is HFVXVYSAMNQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O4.C32H31N5O2.C29H22Cl2N4O2.C29H24N4O2.C28H21N3O2.C22H19N3O/c1-20(38)17-22-3-6-24(7-4-22)31(40)19-23-5-16-29-30(18-23)37-32(36-29)25-8-12-28(13-9-25)35-33(41)26-10-14-27(15-11-26)34-21(2)39;1-36(2)26-14-8-22(9-15-26)30(38)20-21-5-18-28-29(19-21)35-31(34-28)23-6-12-25(13-7-23)33-32(39)24-10-16-27(17-11-24)37(3)4;1-16-2-4-18(5-3-16)29(37)34-23-12-9-20(14-22(23)30)28-33-24-13-8-19(26(31)27(24)35-28)15-25(36)17-6-10-21(32)11-7-17;1-18-2-5-22(6-3-18)29(35)31-24-13-9-21(10-14-24)28-32-25-15-4-19(16-26(25)33-28)17-27(34)20-7-11-23(30)12-8-20;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-23(15-13-21)29-28(33)22-9-5-2-6-10-22;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/h3-16,18H,17,19H2,1-2H3,(H,34,39)(H,35,41)(H,36,37);5-19H,20H2,1-4H3,(H,33,39)(H,34,35);2-14H,15,32H2,1H3,(H,33,35)(H,34,37);2-16H,17,30H2,1H3,(H,31,35)(H,32,33);1-17H,18H2,(H,29,33)(H,30,31);3-13H,1-2H3,(H,23,26)(H,24,25).

What are the key properties of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?

4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide has a molecular weight of 2825.12 g/mol, XLogP of 35.95, 38 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 158466829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).