N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide

C155H161ClFN21O13 — CID 158612845

About N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide

N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide (PubChem CID 158612845) has the molecular formula C155H161ClFN21O13 and a molecular weight of 2580.58 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 158612845
• Molecular Formula: C155H161ClFN21O13
• Molecular Weight: 2580.58 g/mol
• Exact Mass: 2578.23
• IUPAC Name: N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide
• SMILES: CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc(F)cc5)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5)cc4)[nH]c3c1)C2.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5(C)C6(C)C)cc4[nH]3)cc2)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1
• InChI: InChI=1S/C32H34N4O3.C31H31ClN4O2.C31H31FN4O2.C31H31N5O4.C30H34N4O2/c1-31(2)22-15-16-32(31,3)27(18-22)36-30(38)21-9-14-25-26(17-21)35-28(34-25)19-5-10-23(11-6-19)33-29(37)20-7-12-24(39-4)13-8-20;2*1-30(2)21-14-15-31(30,3)26(17-21)36-29(38)20-8-13-24-25(16-20)35-27(34-24)18-6-11-23(12-7-18)33-28(37)19-4-9-22(32)10-5-19;1-30(2)21-14-15-31(30,3)26(17-21)35-29(38)20-8-13-24-25(16-20)34-27(33-24)18-4-9-22(10-5-18)32-28(37)19-6-11-23(12-7-19)36(39)40;35-29(20-3-1-2-4-20)31-24-8-5-19(6-9-24)28-32-25-10-7-21(16-26(25)33-28)30(36)34-27-22-12-17-11-18(14-22)15-23(27)13-17/h5-14,17,22,27H,15-16,18H2,1-4H3,(H,33,37)(H,34,35)(H,36,38);2*4-13,16,21,26H,14-15,17H2,1-3H3,(H,33,37)(H,34,35)(H,36,38);4-13,16,21,26H,14-15,17H2,1-3H3,(H,32,37)(H,33,34)(H,35,38);5-10,16-18,20,22-23,27H,1-4,11-15H2,(H,31,35)(H,32,33)(H,34,36)
• InChIKey: HXAVKHAMNONNLP-UHFFFAOYSA-N
• XLogP: 32.33
• TPSA: 486.77 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2580.58
LogP ≤ 5	32.33
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	18

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 N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide (CID 158612845) is N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc(F)cc5)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5)cc4)[nH]c3c1)C2.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5(C)C6(C)C)cc4[nH]3)cc2)cc1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.

What is the InChIKey of N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

The InChIKey is HXAVKHAMNONNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3.C31H31ClN4O2.C31H31FN4O2.C31H31N5O4.C30H34N4O2/c1-31(2)22-15-16-32(31,3)27(18-22)36-30(38)21-9-14-25-26(17-21)35-28(34-25)19-5-10-23(11-6-19)33-29(37)20-7-12-24(39-4)13-8-20;2*1-30(2)21-14-15-31(30,3)26(17-21)36-29(38)20-8-13-24-25(16-20)35-27(34-24)18-6-11-23(12-7-18)33-28(37)19-4-9-22(32)10-5-19;1-30(2)21-14-15-31(30,3)26(17-21)35-29(38)20-8-13-24-25(16-20)34-27(33-24)18-4-9-22(10-5-18)32-28(37)19-6-11-23(12-7-19)36(39)40;35-29(20-3-1-2-4-20)31-24-8-5-19(6-9-24)28-32-25-10-7-21(16-26(25)33-28)30(36)34-27-22-12-17-11-18(14-22)15-23(27)13-17/h5-14,17,22,27H,15-16,18H2,1-4H3,(H,33,37)(H,34,35)(H,36,38);2*4-13,16,21,26H,14-15,17H2,1-3H3,(H,33,37)(H,34,35)(H,36,38);4-13,16,21,26H,14-15,17H2,1-3H3,(H,32,37)(H,33,34)(H,35,38);5-10,16-18,20,22-23,27H,1-4,11-15H2,(H,31,35)(H,32,33)(H,34,36).

What are the key properties of N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 2580.58 g/mol, XLogP of 32.33, 27 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158612845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).