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

C34H26N4S2 — CID 23175662

IUPAC2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
SMILESC(#CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C34H26N4S2/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/h1-12,15-22H,23-24H2,(H,35,36)(H,37,38)
InChIKeyIKTGNHHBRMDMBS-UHFFFAOYSA-N
MW554.74 g/mol
LogP8.69
Rot. Bonds8

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

2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole (PubChem CID 23175662) has the molecular formula C34H26N4S2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
PubChem CID23175662
Molecular FormulaC34H26N4S2
Molecular Weight554.74 g/mol
Exact Mass554.16
IUPAC Name2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
SMILESC(#CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C34H26N4S2/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/h1-12,15-22H,23-24H2,(H,35,36)(H,37,38)
InChIKeyIKTGNHHBRMDMBS-UHFFFAOYSA-N
XLogP8.69
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-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-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole (CID 23175662) is 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole is C(#CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is IKTGNHHBRMDMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4S2/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/h1-12,15-22H,23-24H2,(H,35,36)(H,37,38).
What are the key properties of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole?
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 554.74 g/mol, XLogP of 8.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 23175662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).