5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione

C16H14N2OS — CID 5019385

IUPAC5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione
SMILESCOc1ccccc1-c1cn(-c2ccccc2)c(=S)[nH]1
InChIInChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)14-11-18(16(20)17-14)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20)
InChIKeyKBABRNCPGAAODX-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.21
Rot. Bonds3

About 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione

5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione (PubChem CID 5019385) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione
PubChem CID5019385
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione
SMILESCOc1ccccc1-c1cn(-c2ccccc2)c(=S)[nH]1
InChIInChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)14-11-18(16(20)17-14)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20)
InChIKeyKBABRNCPGAAODX-UHFFFAOYSA-N
XLogP4.21
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione?
The IUPAC name of 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione (CID 5019385) is 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione is COc1ccccc1-c1cn(-c2ccccc2)c(=S)[nH]1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione?
The InChIKey is KBABRNCPGAAODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)14-11-18(16(20)17-14)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20).
What are the key properties of 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione?
5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione has a molecular weight of 282.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 5019385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).