2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide

C148H157Cl2F5N20O10 — CID 158110542

About 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide

2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide (PubChem CID 158110542) has the molecular formula C148H157Cl2F5N20O10 and a molecular weight of 2541.91 g/mol. Its IUPAC name is 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 158110542
• Molecular Formula: C148H157Cl2F5N20O10
• Molecular Weight: 2541.91 g/mol
• Exact Mass: 2539.17
• IUPAC Name: 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)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)c5c(F)c(F)c(F)c(F)c5F)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4)[nH]c3c1)C2.CC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1
• InChI: InChI=1S/C31H30Cl2N4O2.C31H27F5N4O2.2C29H34N4O2.C28H32N4O2/c1-30(2)20-12-13-31(30,3)26(16-20)37-29(39)19-7-11-24-25(15-19)36-27(35-24)17-4-8-21(9-5-17)34-28(38)18-6-10-22(32)23(33)14-18;1-30(2)16-10-11-31(30,3)20(13-16)40-28(41)15-6-9-18-19(12-15)39-27(38-18)14-4-7-17(8-5-14)37-29(42)21-22(32)24(34)26(36)25(35)23(21)33;1-17-4-2-3-5-24(17)33-28(34)21-10-13-25-26(16-21)32-27(31-25)19-8-11-22(12-9-19)30-29(35)23-15-18-6-7-20(23)14-18;34-28(30-22-5-3-1-2-4-6-22)21-11-14-25-26(17-21)33-27(32-25)19-9-12-23(13-10-19)31-29(35)24-16-18-7-8-20(24)15-18;33-27(29-21-4-2-1-3-5-21)20-10-13-24-25(16-20)32-26(31-24)18-8-11-22(12-9-18)30-28(34)23-15-17-6-7-19(23)14-17/h4-11,14-15,20,26H,12-13,16H2,1-3H3,(H,34,38)(H,35,36)(H,37,39);4-9,12,16,20H,10-11,13H2,1-3H3,(H,37,42)(H,38,39)(H,40,41);8-13,16-18,20,23-24H,2-7,14-15H2,1H3,(H,30,35)(H,31,32)(H,33,34);9-14,17-18,20,22,24H,1-8,15-16H2,(H,30,34)(H,31,35)(H,32,33);8-13,16-17,19,21,23H,1-7,14-15H2,(H,29,33)(H,30,34)(H,31,32)
• InChIKey: FQJJXDQHIOMRFU-UHFFFAOYSA-N
• XLogP: 32.49
• TPSA: 434.40 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2541.91
LogP ≤ 5	32.49
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

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-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide (CID 158110542) is 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)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)c5c(F)c(F)c(F)c(F)c5F)cc4)[nH]c3c1)C2.CC1(C)C2CCC1(C)C(NC(=O)c1ccc3nc(-c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4)[nH]c3c1)C2.CC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1.

What is the InChIKey of 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

The InChIKey is FQJJXDQHIOMRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30Cl2N4O2.C31H27F5N4O2.2C29H34N4O2.C28H32N4O2/c1-30(2)20-12-13-31(30,3)26(16-20)37-29(39)19-7-11-24-25(15-19)36-27(35-24)17-4-8-21(9-5-17)34-28(38)18-6-10-22(32)23(33)14-18;1-30(2)16-10-11-31(30,3)20(13-16)40-28(41)15-6-9-18-19(12-15)39-27(38-18)14-4-7-17(8-5-14)37-29(42)21-22(32)24(34)26(36)25(35)23(21)33;1-17-4-2-3-5-24(17)33-28(34)21-10-13-25-26(16-21)32-27(31-25)19-8-11-22(12-9-19)30-29(35)23-15-18-6-7-20(23)14-18;34-28(30-22-5-3-1-2-4-6-22)21-11-14-25-26(17-21)33-27(32-25)19-9-12-23(13-10-19)31-29(35)24-16-18-7-8-20(24)15-18;33-27(29-21-4-2-1-3-5-21)20-10-13-24-25(16-20)32-26(31-24)18-8-11-22(12-9-18)30-28(34)23-15-17-6-7-19(23)14-17/h4-11,14-15,20,26H,12-13,16H2,1-3H3,(H,34,38)(H,35,36)(H,37,39);4-9,12,16,20H,10-11,13H2,1-3H3,(H,37,42)(H,38,39)(H,40,41);8-13,16-18,20,23-24H,2-7,14-15H2,1H3,(H,30,35)(H,31,32)(H,33,34);9-14,17-18,20,22,24H,1-8,15-16H2,(H,30,34)(H,31,35)(H,32,33);8-13,16-17,19,21,23H,1-7,14-15H2,(H,29,33)(H,30,34)(H,31,32).

What are the key properties of 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide?

2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 2541.91 g/mol, XLogP of 32.49, 25 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158110542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).