3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione

C16H14N2S — CID 4962048

IUPAC3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c[nH]c1=S
InChIInChI=1S/C16H14N2S/c1-18-15(11-17-16(18)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,19)
InChIKeyJCMOOMNQDGLVDP-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.42
Rot. Bonds2

About 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione

3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione (PubChem CID 4962048) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione
PubChem CID4962048
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c[nH]c1=S
InChIInChI=1S/C16H14N2S/c1-18-15(11-17-16(18)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,19)
InChIKeyJCMOOMNQDGLVDP-UHFFFAOYSA-N
XLogP4.42
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione?
The IUPAC name of 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione (CID 4962048) is 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione is Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH]c1=S.
What is the InChIKey of 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione?
The InChIKey is JCMOOMNQDGLVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-18-15(11-17-16(18)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,19).
What are the key properties of 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione?
3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione has a molecular weight of 266.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-phenylphenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 4962048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).