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

C109H78Cl2FN17O11 — CID 161114635

IUPAC2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C28H22N4O3.C27H18Cl2N4O2.C27H19FN4O2.C27H19N5O4/c1-35-23-14-9-19(10-15-23)27(33)30-22-12-7-18(8-13-22)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;28-21-12-8-17(14-22(21)29)26(34)31-20-10-6-16(7-11-20)25-32-23-13-9-18(15-24(23)33-25)27(35)30-19-4-2-1-3-5-19;28-20-11-6-18(7-12-20)26(33)30-22-13-8-17(9-14-22)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21;33-26(18-8-13-22(14-9-18)32(35)36)29-21-11-6-17(7-12-21)25-30-23-15-10-19(16-24(23)31-25)27(34)28-20-4-2-1-3-5-20/h2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);1-15H,(H,30,35)(H,31,34)(H,32,33);1-16H,(H,29,34)(H,30,33)(H,31,32);1-16H,(H,28,34)(H,29,33)(H,30,31)
InChIKeyUKDOHHOVMQDXGR-UHFFFAOYSA-N
MW1891.83 g/mol
LogP24.30
Rot. Bonds22

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

2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 161114635) has the molecular formula C109H78Cl2FN17O11 and a molecular weight of 1891.83 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID161114635
Molecular FormulaC109H78Cl2FN17O11
Molecular Weight1891.83 g/mol
Exact Mass1889.54
IUPAC Name2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C28H22N4O3.C27H18Cl2N4O2.C27H19FN4O2.C27H19N5O4/c1-35-23-14-9-19(10-15-23)27(33)30-22-12-7-18(8-13-22)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;28-21-12-8-17(14-22(21)29)26(34)31-20-10-6-16(7-11-20)25-32-23-13-9-18(15-24(23)33-25)27(35)30-19-4-2-1-3-5-19;28-20-11-6-18(7-12-20)26(33)30-22-13-8-17(9-14-22)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21;33-26(18-8-13-22(14-9-18)32(35)36)29-21-11-6-17(7-12-21)25-30-23-15-10-19(16-24(23)31-25)27(34)28-20-4-2-1-3-5-20/h2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);1-15H,(H,30,35)(H,31,34)(H,32,33);1-16H,(H,29,34)(H,30,33)(H,31,32);1-16H,(H,28,34)(H,29,33)(H,30,31)
InChIKeyUKDOHHOVMQDXGR-UHFFFAOYSA-N
XLogP24.30
TPSA399.89 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001891.83
LogP ≤ 524.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 162250097
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;N-(2-methylcyclohexyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-methylcyclohexyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 160834230
4-nitro-N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]benzamide
CID 3113823
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
2-(4-nitrophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902909

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (CID 161114635) is 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is UKDOHHOVMQDXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3.C27H18Cl2N4O2.C27H19FN4O2.C27H19N5O4/c1-35-23-14-9-19(10-15-23)27(33)30-22-12-7-18(8-13-22)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;28-21-12-8-17(14-22(21)29)26(34)31-20-10-6-16(7-11-20)25-32-23-13-9-18(15-24(23)33-25)27(35)30-19-4-2-1-3-5-19;28-20-11-6-18(7-12-20)26(33)30-22-13-8-17(9-14-22)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21;33-26(18-8-13-22(14-9-18)32(35)36)29-21-11-6-17(7-12-21)25-30-23-15-10-19(16-24(23)31-25)27(34)28-20-4-2-1-3-5-20/h2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);1-15H,(H,30,35)(H,31,34)(H,32,33);1-16H,(H,29,34)(H,30,33)(H,31,32);1-16H,(H,28,34)(H,29,33)(H,30,31).
What are the key properties of 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 1891.83 g/mol, XLogP of 24.30, 22 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 161114635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).