2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

C109H75Cl5FN17O11 — CID 159715910

About 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 159715910) has the molecular formula C109H75Cl5FN17O11 and a molecular weight of 1995.17 g/mol. Its IUPAC name is 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 159715910
• Molecular Formula: C109H75Cl5FN17O11
• Molecular Weight: 1995.17 g/mol
• Exact Mass: 1991.43
• IUPAC Name: 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
• SMILES: COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/C28H21ClN4O3.C27H18Cl2N4O2.C27H18ClFN4O2.C27H18ClN5O4/c1-36-23-13-4-18(5-14-23)27(34)30-21-9-2-17(3-10-21)26-32-24-15-6-19(16-25(24)33-26)28(35)31-22-11-7-20(29)8-12-22;28-19-6-1-17(2-7-19)26(34)30-21-10-3-16(4-11-21)25-32-23-14-5-18(15-24(23)33-25)27(35)31-22-12-8-20(29)9-13-22;28-19-6-12-22(13-7-19)31-27(35)18-5-14-23-24(15-18)33-25(32-23)16-3-10-21(11-4-16)30-26(34)17-1-8-20(29)9-2-17;28-19-6-10-21(11-7-19)30-27(35)18-5-14-23-24(15-18)32-25(31-23)16-1-8-20(9-2-16)29-26(34)17-3-12-22(13-4-17)33(36)37/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2*1-15H,(H,30,34)(H,31,35)(H,32,33);1-15H,(H,29,34)(H,30,35)(H,31,32)
• InChIKey: MZKRFDODYMDAJR-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 399.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1995.17
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 159715910) is 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1.

What is the InChIKey of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is MZKRFDODYMDAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O3.C27H18Cl2N4O2.C27H18ClFN4O2.C27H18ClN5O4/c1-36-23-13-4-18(5-14-23)27(34)30-21-9-2-17(3-10-21)26-32-24-15-6-19(16-25(24)33-26)28(35)31-22-11-7-20(29)8-12-22;28-19-6-1-17(2-7-19)26(34)30-21-10-3-16(4-11-21)25-32-23-14-5-18(15-24(23)33-25)27(35)31-22-12-8-20(29)9-13-22;28-19-6-12-22(13-7-19)31-27(35)18-5-14-23-24(15-18)33-25(32-23)16-3-10-21(11-4-16)30-26(34)17-1-8-20(29)9-2-17;28-19-6-10-21(11-7-19)30-27(35)18-5-14-23-24(15-18)32-25(31-23)16-1-8-20(9-2-16)29-26(34)17-3-12-22(13-4-17)33(36)37/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2*1-15H,(H,30,34)(H,31,35)(H,32,33);1-15H,(H,29,34)(H,30,35)(H,31,32).

What are the key properties of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?

2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 1995.17 g/mol, XLogP of 26.26, 22 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 159715910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).