3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione

C17H16N2S — CID 81334659

IUPAC3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione
SMILESCc1cn(-c2ccccc2Cc2ccccc2)c(=S)[nH]1
InChIInChI=1S/C17H16N2S/c1-13-12-19(17(20)18-13)16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyQEDKOINAFFXBOG-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.43
Rot. Bonds3

About 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione

3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione (PubChem CID 81334659) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione
PubChem CID81334659
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione
SMILESCc1cn(-c2ccccc2Cc2ccccc2)c(=S)[nH]1
InChIInChI=1S/C17H16N2S/c1-13-12-19(17(20)18-13)16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyQEDKOINAFFXBOG-UHFFFAOYSA-N
XLogP4.43
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-benzylphenyl)-5-methyl-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

Related Compounds

1-(2-benzylphenyl)-2,5-dimethylpyrrole
CID 15643956
5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
CID 81335602
5-methyl-3-(4-propylphenyl)-1H-imidazole-2-thione
CID 81334665
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
5-methyl-3-(2-phenylpropyl)-1H-imidazole-2-thione
CID 104592057
5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione
CID 81335015
2-[4-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetonitrile
CID 81334678
3-(2,5-diethoxyphenyl)-5-methyl-1H-imidazole-2-thione
CID 81335367
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
4-benzyl-3,6-dimethyl-1H-pyridin-2-one
CID 71293406
1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
CID 58281398
1-benzyl-2-propan-2-ylbenzene
CID 13215617

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione (CID 81334659) is 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione is Cc1cn(-c2ccccc2Cc2ccccc2)c(=S)[nH]1.
What is the InChIKey of 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione?
The InChIKey is QEDKOINAFFXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-13-12-19(17(20)18-13)16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,20).
What are the key properties of 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione?
3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione has a molecular weight of 280.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81334659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).