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

C17H16N2OS — CID 24964672

IUPAC3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione
SMILESCOc1ccccc1Cn1cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)11-19-12-15(18-17(19)21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,21)
InChIKeyUXJOUDWLWXHDNT-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.27
Rot. Bonds4

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

3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione (PubChem CID 24964672) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione
PubChem CID24964672
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione
SMILESCOc1ccccc1Cn1cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)11-19-12-15(18-17(19)21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,21)
InChIKeyUXJOUDWLWXHDNT-UHFFFAOYSA-N
XLogP4.27
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-methoxyphenyl)methyl]-5-phenyl-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

3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1H-imidazole-2-thione
CID 81335393
7-chloro-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 104836128
5-fluoro-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 62378537
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
CID 81342661
6-bromo-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 43659891
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 63383373

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione (CID 24964672) is 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione is COc1ccccc1Cn1cc(-c2ccccc2)[nH]c1=S.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione?
The InChIKey is UXJOUDWLWXHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)11-19-12-15(18-17(19)21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,21).
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione?
3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione has a molecular weight of 296.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 24964672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).