(4R,5S)-2-[2-[[(4R,5S)-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 44537292

IUPAC(4R,5S)-2-[2-[[(4R,5S)-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
SMILESBr.Fc1ccc([C@H]2N=C(SCCSC3=N[C@H](c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N3)N[C@H]2c2ccc(F)cc2)cc1
InChIInChI=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/t27-,28+,29-,30+;
InChIKeyOBRVKNIFACRIFO-AIXJNQTOSA-N
MW687.63 g/mol
LogP8.47
Rot. Bonds7

About (4R,5S)-2-[2-[[(4R,5S)-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

(4R,5S)-2-[2-[[(4R,5S)-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 44537292) has the molecular formula C32H27BrF4N4S2 and a molecular weight of 687.63 g/mol. Its IUPAC name is (4R,5S)-2-[2-[[(4R,5S)-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(4R,5S)-2-[2-[[(4R,5S)-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 CID44537292
Molecular FormulaC32H27BrF4N4S2
Molecular Weight687.63 g/mol
Exact Mass686.08
IUPAC Name(4R,5S)-2-[2-[[(4R,5S)-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
SMILESBr.Fc1ccc([C@H]2N=C(SCCSC3=N[C@H](c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N3)N[C@H]2c2ccc(F)cc2)cc1
InChIInChI=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/t27-,28+,29-,30+;
InChIKeyOBRVKNIFACRIFO-AIXJNQTOSA-N
XLogP8.47
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.63
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R,5S)-2-[2-[[(4R,5S)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[2-[[(4R,5S)-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 (4R,5S)-2-[2-[[(4R,5S)-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 44537292) is (4R,5S)-2-[2-[[(4R,5S)-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 (4R,5S)-2-[2-[[(4R,5S)-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 (4R,5S)-2-[2-[[(4R,5S)-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([C@H]2N=C(SCCSC3=N[C@H](c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N3)N[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (4R,5S)-2-[2-[[(4R,5S)-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-AIXJNQTOSA-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/t27-,28+,29-,30+;.
What are the key properties of (4R,5S)-2-[2-[[(4R,5S)-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?
(4R,5S)-2-[2-[[(4R,5S)-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 (4R,5S)-2-[2-[[(4R,5S)-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 44537292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).