2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole

C20H16N2S — CID 685908

IUPAC2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole
SMILESCc1ccsc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H16N2S/c1-14-12-13-23-19(14)20-21-17(15-8-4-2-5-9-15)18(22-20)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22)
InChIKeyZZALAFQUNLCGID-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.78
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole

2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole (PubChem CID 685908) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole
PubChem CID685908
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole
SMILESCc1ccsc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H16N2S/c1-14-12-13-23-19(14)20-21-17(15-8-4-2-5-9-15)18(22-20)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22)
InChIKeyZZALAFQUNLCGID-UHFFFAOYSA-N
XLogP5.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.78
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 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole (CID 685908) is 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole is Cc1ccsc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole?
The InChIKey is ZZALAFQUNLCGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-14-12-13-23-19(14)20-21-17(15-8-4-2-5-9-15)18(22-20)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22).
What are the key properties of 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole?
2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole has a molecular weight of 316.43 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 685908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).