(2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione

C16H14N2O2S — CID 507027

IUPAC(2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione
SMILESOc1ccc(C(=S)N2CCN=C2c2ccccc2)c(O)c1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13(14(20)10-12)16(21)18-9-8-17-15(18)11-4-2-1-3-5-11/h1-7,10,19-20H,8-9H2
InChIKeyVXTVYDIXSFDTGD-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.54
Rot. Bonds2

About (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione

(2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione (PubChem CID 507027) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione
PubChem CID507027
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione
SMILESOc1ccc(C(=S)N2CCN=C2c2ccccc2)c(O)c1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13(14(20)10-12)16(21)18-9-8-17-15(18)11-4-2-1-3-5-11/h1-7,10,19-20H,8-9H2
InChIKeyVXTVYDIXSFDTGD-UHFFFAOYSA-N
XLogP2.54
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione?
The IUPAC name of (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione (CID 507027) is (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione?
The canonical SMILES for (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione is Oc1ccc(C(=S)N2CCN=C2c2ccccc2)c(O)c1.
What is the InChIKey of (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione?
The InChIKey is VXTVYDIXSFDTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-12-6-7-13(14(20)10-12)16(21)18-9-8-17-15(18)11-4-2-1-3-5-11/h1-7,10,19-20H,8-9H2.
What are the key properties of (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione?
(2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione has a molecular weight of 298.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione is sourced from PubChem (CID 507027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).