5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole

C11H10Cl2N2S — CID 137368675

IUPAC5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(Cc2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C11H10Cl2N2S/c1-16-11-14-6-9(15-11)4-7-2-3-8(12)5-10(7)13/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeySYHUNNPIMGLQBY-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.03
Rot. Bonds3

About 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole

5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole (PubChem CID 137368675) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole
PubChem CID137368675
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(Cc2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C11H10Cl2N2S/c1-16-11-14-6-9(15-11)4-7-2-3-8(12)5-10(7)13/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeySYHUNNPIMGLQBY-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole 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

5-[(4-chloro-2-methylphenyl)methyl]-2-methylsulfanyl-1H-imidazole
CID 142507858
5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
CID 139695523
5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-1H-imidazole
CID 141255849
2-[(2,4-dichlorophenyl)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476244
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[[2-[(2,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62756617
2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole
CID 45380632
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole
CID 18982640

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole (CID 137368675) is 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole is CSc1ncc(Cc2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole?
The InChIKey is SYHUNNPIMGLQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-16-11-14-6-9(15-11)4-7-2-3-8(12)5-10(7)13/h2-3,5-6H,4H2,1H3,(H,14,15).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole?
5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole has a molecular weight of 273.19 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole is sourced from PubChem (CID 137368675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).