5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one

C74H55BrIN9O2 — CID 158021396

About 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one

5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one (PubChem CID 158021396) has the molecular formula C74H55BrIN9O2 and a molecular weight of 1309.12 g/mol. Its IUPAC name is 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
• PubChem CID: 158021396
• Molecular Formula: C74H55BrIN9O2
• Molecular Weight: 1309.12 g/mol
• Exact Mass: 1307.27
• IUPAC Name: 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
• SMILES: Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.O=c1[nH]c2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1
• InChI: InChI=1S/C29H27BrN4.C24H15N3O.C21H13IN2O/c30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;28-24-19(13-14-7-1-6-12-20(14)25-24)23-26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)27-23;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12/h1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-13H,(H,25,28)(H,26,27);1-11,25H,(H,23,24)
• InChIKey: FGCJMIYGDAVHQV-UHFFFAOYSA-N
• XLogP: 18.86
• TPSA: 158.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1309.12
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

The IUPAC name of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one (CID 158021396) is 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one.

What is the SMILES notation for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

The canonical SMILES for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.O=c1[nH]c2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1.

What is the InChIKey of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

The InChIKey is FGCJMIYGDAVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrN4.C24H15N3O.C21H13IN2O/c30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;28-24-19(13-14-7-1-6-12-20(14)25-24)23-26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)27-23;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12/h1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-13H,(H,25,28)(H,26,27);1-11,25H,(H,23,24).

What are the key properties of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one has a molecular weight of 1309.12 g/mol, XLogP of 18.86, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 158021396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).