2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide

C32H27BrF4N4S2 — CID 45481441

About 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide

2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 45481441) has the molecular formula C32H27BrF4N4S2 and a molecular weight of 687.63 g/mol. Its IUPAC name is 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

• Compound Name: 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide
• PubChem CID: 45481441
• Molecular Formula: C32H27BrF4N4S2
• Molecular Weight: 687.63 g/mol
• Exact Mass: 686.08
• IUPAC Name: 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide
• SMILES: Br.Fc1ccc(C2N=C(SCCSC3=NC(c4ccc(F)cc4)C(c4ccc(F)cc4)N3)NC2c2ccc(F)cc2)cc1
• InChI: InChI=1S/C32H26F4N4S2.BrH/c33-23-9-1-19(2-10-23)27-28(20-3-11-24(34)12-4-20)38-31(37-27)41-17-18-42-32-39-29(21-5-13-25(35)14-6-21)30(40-32)22-7-15-26(36)16-8-22;/h1-16,27-30H,17-18H2,(H,37,38)(H,39,40);1H
• InChIKey: OBRVKNIFACRIFO-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 48.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.63
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide?

The IUPAC name of 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide (CID 45481441) is 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide.

What is the SMILES notation for 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide?

The canonical SMILES for 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide is Br.Fc1ccc(C2N=C(SCCSC3=NC(c4ccc(F)cc4)C(c4ccc(F)cc4)N3)NC2c2ccc(F)cc2)cc1.

What is the InChIKey of 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide?

The InChIKey is OBRVKNIFACRIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F4N4S2.BrH/c33-23-9-1-19(2-10-23)27-28(20-3-11-24(34)12-4-20)38-31(37-27)41-17-18-42-32-39-29(21-5-13-25(35)14-6-21)30(40-32)22-7-15-26(36)16-8-22;/h1-16,27-30H,17-18H2,(H,37,38)(H,39,40);1H.

What are the key properties of 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide?

2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 687.63 g/mol, XLogP of 8.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl]ethylsulfanyl]-4,5-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 45481441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).