2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole

C34H28N4S2 — CID 23175626

IUPAC2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
SMILESC(=C/CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)\CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C34H28N4S2/c1-5-15-25(16-6-1)29-30(26-17-7-2-8-18-26)36-33(35-29)39-23-13-14-24-40-34-37-31(27-19-9-3-10-20-27)32(38-34)28-21-11-4-12-22-28/h1-22H,23-24H2,(H,35,36)(H,37,38)/b14-13+
InChIKeyWEFQUVMBCALHCD-BUHFOSPRSA-N
MW556.76 g/mol
LogP9.24
Rot. Bonds10

About 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole

2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole (PubChem CID 23175626) has the molecular formula C34H28N4S2 and a molecular weight of 556.76 g/mol. Its IUPAC name is 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
PubChem CID23175626
Molecular FormulaC34H28N4S2
Molecular Weight556.76 g/mol
Exact Mass556.18
IUPAC Name2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
SMILESC(=C/CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)\CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C34H28N4S2/c1-5-15-25(16-6-1)29-30(26-17-7-2-8-18-26)36-33(35-29)39-23-13-14-24-40-34-37-31(27-19-9-3-10-20-27)32(38-34)28-21-11-4-12-22-28/h1-22H,23-24H2,(H,35,36)(H,37,38)/b14-13+
InChIKeyWEFQUVMBCALHCD-BUHFOSPRSA-N
XLogP9.24
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.76
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole (CID 23175626) is 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole is C(=C/CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)\CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole?
The InChIKey is WEFQUVMBCALHCD-BUHFOSPRSA-N. The full InChI is InChI=1S/C34H28N4S2/c1-5-15-25(16-6-1)29-30(26-17-7-2-8-18-26)36-33(35-29)39-23-13-14-24-40-34-37-31(27-19-9-3-10-20-27)32(38-34)28-21-11-4-12-22-28/h1-22H,23-24H2,(H,35,36)(H,37,38)/b14-13+.
What are the key properties of 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole?
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole has a molecular weight of 556.76 g/mol, XLogP of 9.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 23175626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).