2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide

C160H160ClF5N20O13 — CID 159810904

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide (PubChem CID 159810904) has the molecular formula C160H160ClF5N20O13 and a molecular weight of 2701.61 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 159810904
• Molecular Formula: C160H160ClF5N20O13
• Molecular Weight: 2701.61 g/mol
• Exact Mass: 2699.21
• IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide
• SMILES: O=C(NC1CC2CCC1C2)c1ccc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1
• InChI: InChI=1S/C37H40N4O3.C34H38N4O3.C33H36N4O3.C28H25ClN4O2.C28H21F5N4O2/c42-35(41-31-7-4-8-33(31)44-22-23-5-2-1-3-6-23)28-11-14-30-32(18-28)40-34(39-30)27-9-12-29(13-10-27)38-36(43)37-19-24-15-25(20-37)17-26(16-24)21-37;39-33(25-11-6-1-2-7-12-25)35-27-18-15-24(16-19-27)32-36-28-20-17-26(21-30(28)37-32)34(40)38-29-13-8-14-31(29)41-22-23-9-4-3-5-10-23;38-32(24-10-5-2-6-11-24)34-26-17-14-23(15-18-26)31-35-27-19-16-25(20-29(27)36-31)33(39)37-28-12-7-13-30(28)40-21-22-8-3-1-4-9-22;29-20-6-10-22(11-7-20)30-27(34)19-5-12-24-25(15-19)33-26(32-24)17-3-8-21(9-4-17)31-28(35)23-14-16-1-2-18(23)13-16;29-21-20(22(30)24(32)25(33)23(21)31)28(39)34-16-6-3-13(4-7-16)26-35-17-8-5-15(11-19(17)36-26)27(38)37-18-10-12-1-2-14(18)9-12/h1-3,5-6,9-14,18,24-26,31,33H,4,7-8,15-17,19-22H2,(H,38,43)(H,39,40)(H,41,42);3-5,9-10,15-21,25,29,31H,1-2,6-8,11-14,22H2,(H,35,39)(H,36,37)(H,38,40);1,3-4,8-9,14-20,24,28,30H,2,5-7,10-13,21H2,(H,34,38)(H,35,36)(H,37,39);3-12,15-16,18,23H,1-2,13-14H2,(H,30,34)(H,31,35)(H,32,33);3-8,11-12,14,18H,1-2,9-10H2,(H,34,39)(H,35,36)(H,37,38)
• InChIKey: NKZVCBZFXVRPAC-UHFFFAOYSA-N
• XLogP: 33.48
• TPSA: 462.09 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2701.61
LogP ≤ 5	33.48
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide (CID 159810904) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide is O=C(NC1CC2CCC1C2)c1ccc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCC1OCc1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1.

What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?

The InChIKey is NKZVCBZFXVRPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O3.C34H38N4O3.C33H36N4O3.C28H25ClN4O2.C28H21F5N4O2/c42-35(41-31-7-4-8-33(31)44-22-23-5-2-1-3-6-23)28-11-14-30-32(18-28)40-34(39-30)27-9-12-29(13-10-27)38-36(43)37-19-24-15-25(20-37)17-26(16-24)21-37;39-33(25-11-6-1-2-7-12-25)35-27-18-15-24(16-19-27)32-36-28-20-17-26(21-30(28)37-32)34(40)38-29-13-8-14-31(29)41-22-23-9-4-3-5-10-23;38-32(24-10-5-2-6-11-24)34-26-17-14-23(15-18-26)31-35-27-19-16-25(20-29(27)36-31)33(39)37-28-12-7-13-30(28)40-21-22-8-3-1-4-9-22;29-20-6-10-22(11-7-20)30-27(34)19-5-12-24-25(15-19)33-26(32-24)17-3-8-21(9-4-17)31-28(35)23-14-16-1-2-18(23)13-16;29-21-20(22(30)24(32)25(33)23(21)31)28(39)34-16-6-3-13(4-7-16)26-35-17-8-5-15(11-19(17)36-26)27(38)37-18-10-12-1-2-14(18)9-12/h1-3,5-6,9-14,18,24-26,31,33H,4,7-8,15-17,19-22H2,(H,38,43)(H,39,40)(H,41,42);3-5,9-10,15-21,25,29,31H,1-2,6-8,11-14,22H2,(H,35,39)(H,36,37)(H,38,40);1,3-4,8-9,14-20,24,28,30H,2,5-7,10-13,21H2,(H,34,38)(H,35,36)(H,37,39);3-12,15-16,18,23H,1-2,13-14H2,(H,30,34)(H,31,35)(H,32,33);3-8,11-12,14,18H,1-2,9-10H2,(H,34,39)(H,35,36)(H,37,38).

What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide?

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 2701.61 g/mol, XLogP of 33.48, 34 rotatable bonds, 15 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-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 159810904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).