3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione

C10H10N2OS — CID 54260632

IUPAC3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione
SMILESCc1c(-c2ccccc2)[nH]c(=S)n1O
InChIInChI=1S/C10H10N2OS/c1-7-9(11-10(14)12(7)13)8-5-3-2-4-6-8/h2-6,13H,1H3,(H,11,14)
InChIKeyRDGFZUWDTWXOOQ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.76
Rot. Bonds1

About 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione

3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione (PubChem CID 54260632) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione
PubChem CID54260632
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione
SMILESCc1c(-c2ccccc2)[nH]c(=S)n1O
InChIInChI=1S/C10H10N2OS/c1-7-9(11-10(14)12(7)13)8-5-3-2-4-6-8/h2-6,13H,1H3,(H,11,14)
InChIKeyRDGFZUWDTWXOOQ-UHFFFAOYSA-N
XLogP2.76
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione?
The IUPAC name of 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione (CID 54260632) is 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione is Cc1c(-c2ccccc2)[nH]c(=S)n1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione?
The InChIKey is RDGFZUWDTWXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-9(11-10(14)12(7)13)8-5-3-2-4-6-8/h2-6,13H,1H3,(H,11,14).
What are the key properties of 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione?
3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione has a molecular weight of 206.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 54260632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).