4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole

C22H17N3O2S — CID 11165115

IUPAC4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O2S/c26-25(27)19-13-11-16(12-14-19)15-28-22-20(17-7-3-1-4-8-17)23-21(24-22)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24)
InChIKeyYTVNXEOKTPBBSU-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.94
Rot. Bonds6

About 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole

4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole (PubChem CID 11165115) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole
PubChem CID11165115
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O2S/c26-25(27)19-13-11-16(12-14-19)15-28-22-20(17-7-3-1-4-8-17)23-21(24-22)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24)
InChIKeyYTVNXEOKTPBBSU-UHFFFAOYSA-N
XLogP5.94
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-benzylsulfanyl-8-(4-nitrophenyl)-7H-purine
CID 25186363
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 135410602
2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile;hydrochloride
CID 163326093
2-methyl-4-[(4-nitrophenyl)methylsulfanyl]quinazoline
CID 7145378
3-[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine
CID 132894059
5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole
CID 24754446
2-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-4H-imidazol-5-one
CID 135592274
7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949681
4,5-bis(4-iodophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 177443254
3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 2659873

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole?
The IUPAC name of 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole (CID 11165115) is 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole.
What is the SMILES notation for 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole?
The canonical SMILES for 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole is O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole?
The InChIKey is YTVNXEOKTPBBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-25(27)19-13-11-16(12-14-19)15-28-22-20(17-7-3-1-4-8-17)23-21(24-22)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24).
What are the key properties of 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole?
4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole has a molecular weight of 387.46 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole is sourced from PubChem (CID 11165115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).