2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

C95H64Br4FN15O2 — CID 159947280

About 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 159947280) has the molecular formula C95H64Br4FN15O2 and a molecular weight of 1786.27 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• PubChem CID: 159947280
• Molecular Formula: C95H64Br4FN15O2
• Molecular Weight: 1786.27 g/mol
• Exact Mass: 1781.21
• IUPAC Name: 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• SMILES: COc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Fc1ccc2[nH]cc(-c3nc(-c4ccc(Br)cc4)c(-c4ccc(Br)cc4)[nH]3)c2c1.NCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.Nc1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21
• InChI: InChI=1S/C25H18BrN5O.C24H17N3O.C23H14Br2FN3.C23H15BrN4/c26-13-5-8-21-18(9-13)20(12-28-21)25-30-23-17-4-2-1-3-15(17)16-7-6-14(29-22(32)11-27)10-19(16)24(23)31-25;1-28-14-10-11-21-19(12-14)20(13-25-21)24-26-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)27-24;24-15-5-1-13(2-6-15)21-22(14-3-7-16(25)8-4-14)29-23(28-21)19-12-27-20-10-9-17(26)11-18(19)20;24-12-5-8-20-18(9-12)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-10-13(25)6-7-16(17)22(21)28-23/h1-10,12,28H,11,27H2,(H,29,32)(H,30,31);2-13,25H,1H3,(H,26,27);1-12,27H,(H,28,29);1-11,26H,25H2,(H,27,28)
• InChIKey: OBQNIUMLZQDKDJ-UHFFFAOYSA-N
• XLogP: 25.62
• TPSA: 268.25 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1786.27
LogP ≤ 5	25.62
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The IUPAC name of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 159947280) is 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

What is the SMILES notation for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The canonical SMILES for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is COc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.Fc1ccc2[nH]cc(-c3nc(-c4ccc(Br)cc4)c(-c4ccc(Br)cc4)[nH]3)c2c1.NCC(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.Nc1ccc2c(c1)c1ccccc1c1nc(-c3c[nH]c4ccc(Br)cc34)[nH]c21.

What is the InChIKey of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The InChIKey is OBQNIUMLZQDKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN5O.C24H17N3O.C23H14Br2FN3.C23H15BrN4/c26-13-5-8-21-18(9-13)20(12-28-21)25-30-23-17-4-2-1-3-15(17)16-7-6-14(29-22(32)11-27)10-19(16)24(23)31-25;1-28-14-10-11-21-19(12-14)20(13-25-21)24-26-22-17-8-4-2-6-15(17)16-7-3-5-9-18(16)23(22)27-24;24-15-5-1-13(2-6-15)21-22(14-3-7-16(25)8-4-14)29-23(28-21)19-12-27-20-10-9-17(26)11-18(19)20;24-12-5-8-20-18(9-12)19(11-26-20)23-27-21-15-4-2-1-3-14(15)17-10-13(25)6-7-16(17)22(21)28-23/h1-10,12,28H,11,27H2,(H,29,32)(H,30,31);2-13,25H,1H3,(H,26,27);1-12,27H,(H,28,29);1-11,26H,25H2,(H,27,28).

What are the key properties of 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 1786.27 g/mol, XLogP of 25.62, 9 rotatable bonds, 11 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 159947280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).