2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium

C187H200ClFN24O12+2 — CID 157315866

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium (PubChem CID 157315866) has the molecular formula C187H200ClFN24O12+2 and a molecular weight of 3030.26 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium.

Molecular Properties

• Compound Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium
• PubChem CID: 157315866
• Molecular Formula: C187H200ClFN24O12+2
• Molecular Weight: 3030.26 g/mol
• Exact Mass: 3027.54
• IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium
• SMILES: CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc([N+](=O)c5ccc(Cl)cc5)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc([N+](=O)c5ccc(F)cc5)cc4)[nH]c3c1)C2.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1)c1ccccc1
• InChI: InChI=1S/C35H40N4O2.C31H36N4O2.C31H30N4O2.C30H29ClN4O2.C30H29FN4O2.C30H34N4O2/c40-33(39-31-26-11-19-7-20(13-26)14-27(31)12-19)25-3-6-29-30(15-25)38-32(37-29)24-1-4-28(5-2-24)36-34(41)35-16-21-8-22(17-35)10-23(9-21)18-35;2*36-30(21-4-2-1-3-5-21)32-25-9-6-20(7-10-25)29-33-26-11-8-22(17-27(26)34-29)31(37)35-28-23-13-18-12-19(15-23)16-24(28)14-18;2*1-29(2)20-14-15-30(29,3)26(17-20)34-28(36)19-6-13-24-25(16-19)33-27(32-24)18-4-9-22(10-5-18)35(37)23-11-7-21(31)8-12-23;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/h1-6,15,19-23,26-27,31H,7-14,16-18H2,(H,36,41)(H,37,38)(H,39,40);6-11,17-19,21,23-24,28H,1-5,12-16H2,(H,32,36)(H,33,34)(H,35,37);1-11,17-19,23-24,28H,12-16H2,(H,32,36)(H,33,34)(H,35,37);2*4-13,16,20,26H,14-15,17H2,1-3H3,(H-,32,33,34,36,37);5-10,16-18,20,22-23,27H,1-4,11-15H2,(H,31,35)(H,32,33)(H,34,36)/p+2
• InChIKey: LNQKCCIVKDDLJU-UHFFFAOYSA-P
• XLogP: 39.54
• TPSA: 503.24 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3030.26
LogP ≤ 5	39.54
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium?

The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium (CID 157315866) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium.

What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium?

The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium is CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc([N+](=O)c5ccc(Cl)cc5)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc([N+](=O)c5ccc(F)cc5)cc4)[nH]c3c1)C2.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1)c1ccccc1.

What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium?

The InChIKey is LNQKCCIVKDDLJU-UHFFFAOYSA-P. The full InChI is InChI=1S/C35H40N4O2.C31H36N4O2.C31H30N4O2.C30H29ClN4O2.C30H29FN4O2.C30H34N4O2/c40-33(39-31-26-11-19-7-20(13-26)14-27(31)12-19)25-3-6-29-30(15-25)38-32(37-29)24-1-4-28(5-2-24)36-34(41)35-16-21-8-22(17-35)10-23(9-21)18-35;2*36-30(21-4-2-1-3-5-21)32-25-9-6-20(7-10-25)29-33-26-11-8-22(17-27(26)34-29)31(37)35-28-23-13-18-12-19(15-23)16-24(28)14-18;2*1-29(2)20-14-15-30(29,3)26(17-20)34-28(36)19-6-13-24-25(16-19)33-27(32-24)18-4-9-22(10-5-18)35(37)23-11-7-21(31)8-12-23;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/h1-6,15,19-23,26-27,31H,7-14,16-18H2,(H,36,41)(H,37,38)(H,39,40);6-11,17-19,21,23-24,28H,1-5,12-16H2,(H,32,36)(H,33,34)(H,35,37);1-11,17-19,23-24,28H,12-16H2,(H,32,36)(H,33,34)(H,35,37);2*4-13,16,20,26H,14-15,17H2,1-3H3,(H-,32,33,34,36,37);5-10,16-18,20,22-23,27H,1-4,11-15H2,(H,31,35)(H,32,33)(H,34,36)/p+2.

What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium?

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium has a molecular weight of 3030.26 g/mol, XLogP of 39.54, 30 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-adamantyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;(4-chlorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium;(4-fluorophenyl)-oxo-[4-[6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]azanium is sourced from PubChem (CID 157315866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).