1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole

C23H26N2S — CID 54563073

IUPAC1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole
SMILESC(=CC(Cn1ccnc1)SCCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2S/c1-3-9-21(10-4-1)13-7-8-18-26-23(19-25-17-16-24-20-25)15-14-22-11-5-2-6-12-22/h1-6,9-12,14-17,20,23H,7-8,13,18-19H2
InChIKeyZRWZBMHNVMKSQH-UHFFFAOYSA-N
MW362.54 g/mol
LogP5.72
Rot. Bonds10

About 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole

1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole (PubChem CID 54563073) has the molecular formula C23H26N2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole.

Molecular Properties

Compound Name1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole
PubChem CID54563073
Molecular FormulaC23H26N2S
Molecular Weight362.54 g/mol
Exact Mass362.18
IUPAC Name1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole
SMILESC(=CC(Cn1ccnc1)SCCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2S/c1-3-9-21(10-4-1)13-7-8-18-26-23(19-25-17-16-24-20-25)15-14-22-11-5-2-6-12-22/h1-6,9-12,14-17,20,23H,7-8,13,18-19H2
InChIKeyZRWZBMHNVMKSQH-UHFFFAOYSA-N
XLogP5.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.54
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2-heptylsulfanyl-4-phenylbut-3-enyl]imidazole
CID 21415391
1-[4-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylbut-3-enyl]imidazole
CID 70630028
1-(8-phenyloctyl)imidazole
CID 102394184
1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbut-3-enyl]imidazole
CID 54092527
1-[(E)-2-dodecoxy-4-phenylbut-3-enyl]imidazole
CID 21415287
1-(2-heptylsulfanyl-2-phenylethyl)imidazole
CID 21402516
1-(3-benzylsulfanyl-2-octylsulfanylpropyl)imidazole
CID 21423847
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-[2-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
CID 6476079
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole?
The IUPAC name of 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole (CID 54563073) is 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole.
What is the SMILES notation for 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole?
The canonical SMILES for 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole is C(=CC(Cn1ccnc1)SCCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole?
The InChIKey is ZRWZBMHNVMKSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2S/c1-3-9-21(10-4-1)13-7-8-18-26-23(19-25-17-16-24-20-25)15-14-22-11-5-2-6-12-22/h1-6,9-12,14-17,20,23H,7-8,13,18-19H2.
What are the key properties of 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole?
1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole has a molecular weight of 362.54 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-2-(4-phenylbutylsulfanyl)but-3-enyl]imidazole is sourced from PubChem (CID 54563073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).