4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole

C22H18N2S — CID 2817093

IUPAC4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole
SMILESC=CCn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2S/c1-2-15-24-21(18-12-7-4-8-13-18)20(17-10-5-3-6-11-17)23-22(24)19-14-9-16-25-19/h2-14,16H,1,15H2
InChIKeyOMPDSKQSMJMIIK-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.13
Rot. Bonds5

About 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole

4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole (PubChem CID 2817093) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole
PubChem CID2817093
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC Name4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole
SMILESC=CCn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2S/c1-2-15-24-21(18-12-7-4-8-13-18)20(17-10-5-3-6-11-17)23-22(24)19-14-9-16-25-19/h2-14,16H,1,15H2
InChIKeyOMPDSKQSMJMIIK-UHFFFAOYSA-N
XLogP6.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
4,5-diphenyl-2-(2-thienyl)-1H-imidazole
CID 767504
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
1-[(2-methylphenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962311
5-Methyl-2-(4-methylpiperazino)-4,6-bis(2-thienyl)pyrimidine
CID 10498496
4-[4,5-Bis(thiophen-2-YL)-1H-imidazol-2-YL]-N,N-dimethylaniline
CID 10247401
4-[5-(4-Fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
2-Benzo[b]thiophen-3-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329787
5-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329792
3-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329793

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole?
The IUPAC name of 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole (CID 2817093) is 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole.
What is the SMILES notation for 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole?
The canonical SMILES for 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole is C=CCn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole?
The InChIKey is OMPDSKQSMJMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c1-2-15-24-21(18-12-7-4-8-13-18)20(17-10-5-3-6-11-17)23-22(24)19-14-9-16-25-19/h2-14,16H,1,15H2.
What are the key properties of 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole?
4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole has a molecular weight of 342.47 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole is sourced from PubChem (CID 2817093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).