4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione

C16H14N2OS — CID 4237287

IUPAC4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-13-9-7-12(8-10-13)15-14(17-16(20)18-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,20)
InChIKeyWJNOVBNHUQBCFF-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.41
Rot. Bonds3

About 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione

4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione (PubChem CID 4237287) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione
PubChem CID4237287
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-13-9-7-12(8-10-13)15-14(17-16(20)18-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,20)
InChIKeyWJNOVBNHUQBCFF-UHFFFAOYSA-N
XLogP4.41
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione (CID 4237287) is 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione is COc1ccc(-c2[nH]c(=S)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione?
The InChIKey is WJNOVBNHUQBCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-13-9-7-12(8-10-13)15-14(17-16(20)18-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,20).
What are the key properties of 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione?
4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione has a molecular weight of 282.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-phenyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 4237287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).