4,5-diphenyl-2-thiophen-2-yl-1H-imidazole

C19H14N2S — CID 767504

IUPAC4,5-diphenyl-2-thiophen-2-yl-1H-imidazole
SMILESc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2S/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21)
InChIKeyRLJCULGZUPDOJI-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.47
Rot. Bonds3

About 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole

4,5-diphenyl-2-thiophen-2-yl-1H-imidazole (PubChem CID 767504) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-thiophen-2-yl-1H-imidazole
PubChem CID767504
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Name4,5-diphenyl-2-thiophen-2-yl-1H-imidazole
SMILESc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2S/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21)
InChIKeyRLJCULGZUPDOJI-UHFFFAOYSA-N
XLogP5.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole (CID 767504) is 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole is c1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole?
The InChIKey is RLJCULGZUPDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21).
What are the key properties of 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole?
4,5-diphenyl-2-thiophen-2-yl-1H-imidazole has a molecular weight of 302.40 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 767504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).