5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole

C109H74F2N14O5 — CID 159739011

About 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole

5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 159739011) has the molecular formula C109H74F2N14O5 and a molecular weight of 1697.88 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole
• PubChem CID: 159739011
• Molecular Formula: C109H74F2N14O5
• Molecular Weight: 1697.88 g/mol
• Exact Mass: 1696.59
• IUPAC Name: 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole
• SMILES: Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2[nH]c(-c3ccc4[nH]ccc4c3)nc2-c2ccccc2)cc1.O=C(O)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.Oc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.c1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
• InChI: InChI=1S/C24H17FN4O2.C23H16FN3.C22H14N2O2.C21H14N2O.C19H13N3/c1-14-21(19-13-18(29(30)31)11-12-20(19)26-14)24-27-22(15-5-3-2-4-6-15)23(28-24)16-7-9-17(25)10-8-16;24-19-9-6-16(7-10-19)22-21(15-4-2-1-3-5-15)26-23(27-22)18-8-11-20-17(14-18)12-13-25-20;25-22(26)14-11-9-13(10-12-14)21-23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)24-21;24-14-7-5-6-13(12-14)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)23-21;1-3-8-14-12(6-1)13-7-2-4-9-15(13)18-17(14)21-19(22-18)16-10-5-11-20-16/h2-13,26H,1H3,(H,27,28);1-14,25H,(H,26,27);1-12H,(H,23,24)(H,25,26);1-12,24H,(H,22,23);1-11,20H,(H,21,22)
• InChIKey: NCEZPDKEBBOXEN-UHFFFAOYSA-N
• XLogP: 27.62
• TPSA: 291.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1697.88
LogP ≤ 5	27.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?

The IUPAC name of 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole (CID 159739011) is 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole.

What is the SMILES notation for 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?

The canonical SMILES for 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole is Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2[nH]c(-c3ccc4[nH]ccc4c3)nc2-c2ccccc2)cc1.O=C(O)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.Oc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.c1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.

What is the InChIKey of 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?

The InChIKey is NCEZPDKEBBOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2.C23H16FN3.C22H14N2O2.C21H14N2O.C19H13N3/c1-14-21(19-13-18(29(30)31)11-12-20(19)26-14)24-27-22(15-5-3-2-4-6-15)23(28-24)16-7-9-17(25)10-8-16;24-19-9-6-16(7-10-19)22-21(15-4-2-1-3-5-15)26-23(27-22)18-8-11-20-17(14-18)12-13-25-20;25-22(26)14-11-9-13(10-12-14)21-23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)24-21;24-14-7-5-6-13(12-14)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)23-21;1-3-8-14-12(6-1)13-7-2-4-9-15(13)18-17(14)21-19(22-18)16-10-5-11-20-16/h2-13,26H,1H3,(H,27,28);1-14,25H,(H,26,27);1-12H,(H,23,24)(H,25,26);1-12,24H,(H,22,23);1-11,20H,(H,21,22).

What are the key properties of 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?

5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 1697.88 g/mol, XLogP of 27.62, 11 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 159739011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).