N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C179H188N24O12 — CID 158510746

About N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 158510746) has the molecular formula C179H188N24O12 and a molecular weight of 2867.63 g/mol. Its IUPAC name is N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
• PubChem CID: 158510746
• Molecular Formula: C179H188N24O12
• Molecular Weight: 2867.63 g/mol
• Exact Mass: 2865.48
• IUPAC Name: N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
• SMILES: O=C(Nc1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4c4ccccc4)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5C=CC4C5)cc3[nH]2)cc1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCCC1
• InChI: InChI=1S/C32H34N4O2.C31H28N4O2.C30H34N4O2.C29H30N4O2.C29H32N4O2.C28H30N4O2/c37-30(26-13-18-1-2-23(26)12-18)33-24-5-3-22(4-6-24)29-35-27-8-7-25(14-28(27)36-29)34-31(38)32-15-19-9-20(16-32)11-21(10-19)17-32;36-30(25-15-18-6-7-21(25)14-18)32-22-10-8-20(9-11-22)29-34-27-13-12-23(16-28(27)35-29)33-31(37)26-17-24(26)19-4-2-1-3-5-19;35-28(22-3-1-2-4-22)31-24-9-10-25-26(14-24)34-27(33-25)21-5-7-23(8-6-21)32-29(36)30-15-18-11-19(16-30)13-20(12-18)17-30;34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-28(20-5-3-1-2-4-6-20)30-22-11-9-19(10-12-22)27-32-25-14-13-23(17-26(25)33-27)31-29(35)24-16-18-7-8-21(24)15-18;33-27(19-4-2-1-3-5-19)30-22-12-13-24-25(16-22)32-26(31-24)18-8-10-21(11-9-18)29-28(34)23-15-17-6-7-20(23)14-17/h1-8,14,18-21,23,26H,9-13,15-17H2,(H,33,37)(H,34,38)(H,35,36);1-13,16,18,21,24-26H,14-15,17H2,(H,32,36)(H,33,37)(H,34,35);5-10,14,18-20,22H,1-4,11-13,15-17H2,(H,31,35)(H,32,36)(H,33,34);1,3,5-10,15-17,19-20,23-24H,2,4,11-14H2,(H,30,34)(H,31,35)(H,32,33);7-14,17-18,20-21,24H,1-6,15-16H2,(H,30,34)(H,31,35)(H,32,33);6-13,16-17,19-20,23H,1-5,14-15H2,(H,29,34)(H,30,33)(H,31,32)
• InChIKey: HLADFTRTKOVWEN-UHFFFAOYSA-N
• XLogP: 37.12
• TPSA: 521.28 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2867.63
LogP ≤ 5	37.12
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

The IUPAC name of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 158510746) is N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

What is the SMILES notation for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

The canonical SMILES for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4c4ccccc4)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5C=CC4C5)cc3[nH]2)cc1)C1CCCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)C1CC2C=CC1C2.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)C1CCCC1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC5C=CC4C5)cc3)[nH]c2c1)C1CCCCC1.

What is the InChIKey of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

The InChIKey is HLADFTRTKOVWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2.C31H28N4O2.C30H34N4O2.C29H30N4O2.C29H32N4O2.C28H30N4O2/c37-30(26-13-18-1-2-23(26)12-18)33-24-5-3-22(4-6-24)29-35-27-8-7-25(14-28(27)36-29)34-31(38)32-15-19-9-20(16-32)11-21(10-19)17-32;36-30(25-15-18-6-7-21(25)14-18)32-22-10-8-20(9-11-22)29-34-27-13-12-23(16-28(27)35-29)33-31(37)26-17-24(26)19-4-2-1-3-5-19;35-28(22-3-1-2-4-22)31-24-9-10-25-26(14-24)34-27(33-25)21-5-7-23(8-6-21)32-29(36)30-15-18-11-19(16-30)13-20(12-18)17-30;34-28(23-13-16-1-3-19(23)11-16)30-21-7-5-18(6-8-21)27-32-25-10-9-22(15-26(25)33-27)31-29(35)24-14-17-2-4-20(24)12-17;34-28(20-5-3-1-2-4-6-20)30-22-11-9-19(10-12-22)27-32-25-14-13-23(17-26(25)33-27)31-29(35)24-16-18-7-8-21(24)15-18;33-27(19-4-2-1-3-5-19)30-22-12-13-24-25(16-22)32-26(31-24)18-8-10-21(11-9-18)29-28(34)23-15-17-6-7-20(23)14-17/h1-8,14,18-21,23,26H,9-13,15-17H2,(H,33,37)(H,34,38)(H,35,36);1-13,16,18,21,24-26H,14-15,17H2,(H,32,36)(H,33,37)(H,34,35);5-10,14,18-20,22H,1-4,11-13,15-17H2,(H,31,35)(H,32,36)(H,33,34);1,3,5-10,15-17,19-20,23-24H,2,4,11-14H2,(H,30,34)(H,31,35)(H,32,33);7-14,17-18,20-21,24H,1-6,15-16H2,(H,30,34)(H,31,35)(H,32,33);6-13,16-17,19-20,23H,1-5,14-15H2,(H,29,34)(H,30,33)(H,31,32).

What are the key properties of N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?

N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 2867.63 g/mol, XLogP of 37.12, 31 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 158510746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).