4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole

C125H93Br2N19O3 — CID 160863589

About 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole

4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 160863589) has the molecular formula C125H93Br2N19O3 and a molecular weight of 2069.06 g/mol. Its IUPAC name is 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

• Compound Name: 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
• PubChem CID: 160863589
• Molecular Formula: C125H93Br2N19O3
• Molecular Weight: 2069.06 g/mol
• Exact Mass: 2065.61
• IUPAC Name: 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
• SMILES: Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccc6ccccc6c5c4[nH]3)c2c1.NNC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Nc1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1.Oc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(O)cc2)cc1.c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccc(N3CCCCC3)cc2)cc1
• InChI: InChI=1S/C28H26N4.C27H16BrN3.C24H17N5O.C23H16BrN3O2.C23H18N4/c1-3-9-20(10-4-1)26-27(21-13-15-22(16-14-21)32-17-7-2-8-18-32)31-28(30-26)24-19-29-25-12-6-5-11-23(24)25;28-16-10-12-23-21(13-16)22(14-29-23)27-30-25-20-8-4-3-7-18(20)19-11-9-15-5-1-2-6-17(15)24(19)26(25)31-27;25-29-24(30)13-9-10-16-19(12-26-20(16)11-13)23-27-21-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22(21)28-23;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(28)7-2-13)22(27-23)14-3-8-17(29)9-4-14;24-17-12-10-16(11-13-17)22-21(15-6-2-1-3-7-15)26-23(27-22)19-14-25-20-9-5-4-8-18(19)20/h1,3-6,9-16,19,29H,2,7-8,17-18H2,(H,30,31);1-14,29H,(H,30,31);1-12,26H,25H2,(H,27,28)(H,29,30);1-12,25,28-29H,(H,26,27);1-14,25H,24H2,(H,26,27)
• InChIKey: SKURTJNJKKSVOE-UHFFFAOYSA-N
• XLogP: 30.98
• TPSA: 347.19 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2069.06
LogP ≤ 5	30.98
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

The IUPAC name of 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 160863589) is 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole.

What is the SMILES notation for 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

The canonical SMILES for 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccc6ccccc6c5c4[nH]3)c2c1.NNC(=O)c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.Nc1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1.Oc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(O)cc2)cc1.c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccc(N3CCCCC3)cc2)cc1.

What is the InChIKey of 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

The InChIKey is SKURTJNJKKSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4.C27H16BrN3.C24H17N5O.C23H16BrN3O2.C23H18N4/c1-3-9-20(10-4-1)26-27(21-13-15-22(16-14-21)32-17-7-2-8-18-32)31-28(30-26)24-19-29-25-12-6-5-11-23(24)25;28-16-10-12-23-21(13-16)22(14-29-23)27-30-25-20-8-4-3-7-18(20)19-11-9-15-5-1-2-6-17(15)24(19)26(25)31-27;25-29-24(30)13-9-10-16-19(12-26-20(16)11-13)23-27-21-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22(21)28-23;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(28)7-2-13)22(27-23)14-3-8-17(29)9-4-14;24-17-12-10-16(11-13-17)22-21(15-6-2-1-3-7-15)26-23(27-22)19-14-25-20-9-5-4-8-18(19)20/h1,3-6,9-16,19,29H,2,7-8,17-18H2,(H,30,31);1-14,29H,(H,30,31);1-12,26H,25H2,(H,27,28)(H,29,30);1-12,25,28-29H,(H,26,27);1-14,25H,24H2,(H,26,27).

What are the key properties of 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 2069.06 g/mol, XLogP of 30.98, 13 rotatable bonds, 15 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-1H-indol-3-yl)-3,5-diazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),4,7,9,11,14,16,18,20-decaene;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 160863589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).