2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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

C135H99Cl6FN20O11 — CID 158055134

IUPAC2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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
SMILESCOc1ccc(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)c1ccccc1.O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1
InChIInChI=1S/C28H21ClN4O3.C27H18Cl2N4O2.C27H18ClFN4O2.C27H19ClN4O2.C26H23ClN4O2/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;28-20-9-13-22(14-10-20)30-27(34)19-8-15-23-24(16-19)32-25(31-23)17-6-11-21(12-7-17)29-26(33)18-4-2-1-3-5-18;27-19-8-12-21(13-9-19)29-26(33)18-7-14-22-23(15-18)31-24(30-22)16-5-10-20(11-6-16)28-25(32)17-3-1-2-4-17/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2*1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);5-15,17H,1-4H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyFJYMUHYVZTZSNF-UHFFFAOYSA-N
MW2409.12 g/mol
LogP32.62
Rot. Bonds26

About 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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

2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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 (PubChem CID 158055134) has the molecular formula C135H99Cl6FN20O11 and a molecular weight of 2409.12 g/mol. Its IUPAC name is 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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.

Molecular Properties

Compound Name2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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
PubChem CID158055134
Molecular FormulaC135H99Cl6FN20O11
Molecular Weight2409.12 g/mol
Exact Mass2404.59
IUPAC Name2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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
SMILESCOc1ccc(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)c1ccccc1.O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1
InChIInChI=1S/C28H21ClN4O3.C27H18Cl2N4O2.C27H18ClFN4O2.C27H19ClN4O2.C26H23ClN4O2/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;28-20-9-13-22(14-10-20)30-27(34)19-8-15-23-24(16-19)32-25(31-23)17-6-11-21(12-7-17)29-26(33)18-4-2-1-3-5-18;27-19-8-12-21(13-9-19)29-26(33)18-7-14-22-23(15-18)31-24(30-22)16-5-10-20(11-6-16)28-25(32)17-3-1-2-4-17/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2*1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);5-15,17H,1-4H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyFJYMUHYVZTZSNF-UHFFFAOYSA-N
XLogP32.62
TPSA443.63 Ų
H-Bond Donors15
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms173
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.12
LogP ≤ 532.62
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1016

Analyze 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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?
The IUPAC name of 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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 (CID 158055134) is 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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.
What is the SMILES notation for 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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?
The canonical SMILES for 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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 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)c1ccccc1.O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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?
The InChIKey is FJYMUHYVZTZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O3.C27H18Cl2N4O2.C27H18ClFN4O2.C27H19ClN4O2.C26H23ClN4O2/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;28-20-9-13-22(14-10-20)30-27(34)19-8-15-23-24(16-19)32-25(31-23)17-6-11-21(12-7-17)29-26(33)18-4-2-1-3-5-18;27-19-8-12-21(13-9-19)29-26(33)18-7-14-22-23(15-18)31-24(30-22)16-5-10-20(11-6-16)28-25(32)17-3-1-2-4-17/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2*1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);5-15,17H,1-4H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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?
2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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 has a molecular weight of 2409.12 g/mol, XLogP of 32.62, 26 rotatable bonds, 15 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-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 is sourced from PubChem (CID 158055134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).