2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C215H221N32O17+ — CID 157118854

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 157118854) has the molecular formula C215H221N32O17+ and a molecular weight of 3525.34 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• PubChem CID: 157118854
• Molecular Formula: C215H221N32O17+
• Molecular Weight: 3525.34 g/mol
• Exact Mass: 3522.74
• IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• SMILES: 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(Nc1cccnc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc([N+](=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1
• InChI: InChI=1S/C37H40N4O3.C34H38N4O3.C33H36N4O3.C30H29N5O2.C29H27N5O2.2C26H25N5O2/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;36-28(32-24-2-1-9-31-17-24)22-5-8-25-26(13-22)35-27(34-25)21-3-6-23(7-4-21)33-29(37)30-14-18-10-19(15-30)12-20(11-18)16-30;35-28(31-23-7-9-30-10-8-23)22-3-6-25-26(14-22)33-27(32-25)21-1-4-24(5-2-21)34(36)29-15-18-11-19(16-29)13-20(12-18)17-29;32-25(18-5-2-1-3-6-18)28-20-11-8-17(9-12-20)24-30-22-13-10-19(15-23(22)31-24)26(33)29-21-7-4-14-27-16-21;32-25(18-4-2-1-3-5-18)28-20-9-6-17(7-10-20)24-30-22-11-8-19(16-23(22)31-24)26(33)29-21-12-14-27-15-13-21/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);1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,37)(H,34,35);1-10,14,18-20H,11-13,15-17H2,(H-,30,31,32,33,35,36);4,7-16,18H,1-3,5-6H2,(H,28,32)(H,29,33)(H,30,31);6-16,18H,1-5H2,(H,28,32)(H,30,31)(H,27,29,33)/p+1
• InChIKey: XTVKTTRWGYFBJM-UHFFFAOYSA-O
• XLogP: 43.96
• TPSA: 678.39 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3525.34
LogP ≤ 5	43.96
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	28

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-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 157118854) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-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-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide is 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(Nc1cccnc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc2nc(-c3ccc([N+](=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.

What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The InChIKey is XTVKTTRWGYFBJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H40N4O3.C34H38N4O3.C33H36N4O3.C30H29N5O2.C29H27N5O2.2C26H25N5O2/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;36-28(32-24-2-1-9-31-17-24)22-5-8-25-26(13-22)35-27(34-25)21-3-6-23(7-4-21)33-29(37)30-14-18-10-19(15-30)12-20(11-18)16-30;35-28(31-23-7-9-30-10-8-23)22-3-6-25-26(14-22)33-27(32-25)21-1-4-24(5-2-21)34(36)29-15-18-11-19(16-29)13-20(12-18)17-29;32-25(18-5-2-1-3-6-18)28-20-11-8-17(9-12-20)24-30-22-13-10-19(15-23(22)31-24)26(33)29-21-7-4-14-27-16-21;32-25(18-4-2-1-3-5-18)28-20-9-6-17(7-10-20)24-30-22-11-8-19(16-23(22)31-24)26(33)29-21-12-14-27-15-13-21/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);1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,37)(H,34,35);1-10,14,18-20H,11-13,15-17H2,(H-,30,31,32,33,35,36);4,7-16,18H,1-3,5-6H2,(H,28,32)(H,29,33)(H,30,31);6-16,18H,1-5H2,(H,28,32)(H,30,31)(H,27,29,33)/p+1.

What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

2-[4-(adamantane-1-carbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 3525.34 g/mol, XLogP of 43.96, 44 rotatable bonds, 20 hydrogen bond donors, and 28 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-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;1-adamantyl-oxo-[4-[6-(pyridin-4-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium;2-[4-(cycloheptanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylmethoxycyclopentyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 157118854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).