2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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

C104H69Br4N17O2 — CID 157262420

About 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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 157262420) has the molecular formula C104H69Br4N17O2 and a molecular weight of 1908.43 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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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: 157262420
• Molecular Formula: C104H69Br4N17O2
• Molecular Weight: 1908.43 g/mol
• Exact Mass: 1903.26
• IUPAC Name: 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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: Brc1ccc2[nH]cc(/C=N/c3ccc4c5ccccc5c5nc(-c6c[nH]c7ccc(Br)cc67)[nH]c5c4c3)c2c1.COc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[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/C32H19Br2N5.C25H18BrN5O.C24H17N3O.C23H15BrN4/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29;26-13-5-8-21-18(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;24-12-5-8-20-18(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/h1-16,36-37H,(H,38,39);1-10,12,28H,11,27H2,(H,29,32)(H,30,31);2-13,25H,1H3,(H,26,27);1-11,26H,25H2,(H,27,28)/b35-14+
• InChIKey: AXPPCAXQUNEXEL-SQJQHRKPSA-N
• XLogP: 27.84
• TPSA: 296.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.43
LogP ≤ 5	27.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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 157262420) is 2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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 Brc1ccc2[nH]cc(/C=N/c3ccc4c5ccccc5c5nc(-c6c[nH]c7ccc(Br)cc67)[nH]c5c4c3)c2c1.COc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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 AXPPCAXQUNEXEL-SQJQHRKPSA-N. The full InChI is InChI=1S/C32H19Br2N5.C25H18BrN5O.C24H17N3O.C23H15BrN4/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29;26-13-5-8-21-18(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;24-12-5-8-20-18(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/h1-16,36-37H,(H,38,39);1-10,12,28H,11,27H2,(H,29,32)(H,30,31);2-13,25H,1H3,(H,26,27);1-11,26H,25H2,(H,27,28)/b35-14+;;;.

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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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 1908.43 g/mol, XLogP of 27.84, 9 rotatable bonds, 12 hydrogen bond donors, and 9 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;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;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 157262420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).