4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole

C32H28F2N4O2S2 — CID 10651259

IUPAC4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)ncn2CCSSCCn2cnc(-c3ccc(F)cc3)c2-c2ccc(C)o2)o1
InChIInChI=1S/C32H28F2N4O2S2/c1-21-3-13-27(39-21)31-29(23-5-9-25(33)10-6-23)35-19-37(31)15-17-41-42-18-16-38-20-36-30(24-7-11-26(34)12-8-24)32(38)28-14-4-22(2)40-28/h3-14,19-20H,15-18H2,1-2H3
InChIKeyQRRMNNSOEVHRPV-UHFFFAOYSA-N
MW602.73 g/mol
LogP8.91
Rot. Bonds11

About 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole

4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole (PubChem CID 10651259) has the molecular formula C32H28F2N4O2S2 and a molecular weight of 602.73 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole
PubChem CID10651259
Molecular FormulaC32H28F2N4O2S2
Molecular Weight602.73 g/mol
Exact Mass602.16
IUPAC Name4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)ncn2CCSSCCn2cnc(-c3ccc(F)cc3)c2-c2ccc(C)o2)o1
InChIInChI=1S/C32H28F2N4O2S2/c1-21-3-13-27(39-21)31-29(23-5-9-25(33)10-6-23)35-19-37(31)15-17-41-42-18-16-38-20-36-30(24-7-11-26(34)12-8-24)32(38)28-14-4-22(2)40-28/h3-14,19-20H,15-18H2,1-2H3
InChIKeyQRRMNNSOEVHRPV-UHFFFAOYSA-N
XLogP8.91
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole with MolForge

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Related Compounds

1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
5-[3-[5-(5-methylfuran-2-yl)-4-phenylimidazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine
CID 50960079
4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
CID 159015329
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol
CID 50974446
(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
CID 95138308
[5-(4-fluorophenyl)-3-methylimidazol-4-yl]methanol
CID 10560192
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474028
4,5-diphenyl-1-propylimidazole
CID 14950648
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53036069
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 139553745

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole?
The IUPAC name of 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole (CID 10651259) is 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole is Cc1ccc(-c2c(-c3ccc(F)cc3)ncn2CCSSCCn2cnc(-c3ccc(F)cc3)c2-c2ccc(C)o2)o1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole?
The InChIKey is QRRMNNSOEVHRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O2S2/c1-21-3-13-27(39-21)31-29(23-5-9-25(33)10-6-23)35-19-37(31)15-17-41-42-18-16-38-20-36-30(24-7-11-26(34)12-8-24)32(38)28-14-4-22(2)40-28/h3-14,19-20H,15-18H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole?
4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole has a molecular weight of 602.73 g/mol, XLogP of 8.91, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[2-[2-[4-(4-fluorophenyl)-5-(5-methylfuran-2-yl)imidazol-1-yl]ethyldisulfanyl]ethyl]-5-(5-methylfuran-2-yl)imidazole is sourced from PubChem (CID 10651259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).