2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole

C11H11ClN2S — CID 4550698

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole
SMILESCn1ccnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c1-14-7-6-13-11(14)15-8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyHMJXOWFLRDSCKP-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.37
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole

2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole (PubChem CID 4550698) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole
PubChem CID4550698
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole
SMILESCn1ccnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c1-14-7-6-13-11(14)15-8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyHMJXOWFLRDSCKP-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole 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

Luliconazole
CID 3003141
Sulconazole
CID 5318
Lanoconazole
CID 3002820
1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
1-[3-(4-Chlorophenyl)propyl]imidazole
CID 9991046
1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 6604421
2-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 759935
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-methylacetamide
CID 7151062
2-[1-[(4-Chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151082
1-benzyl-2-[(4-chlorobenzyl)thio]-1H-imidazole
CID 788065
(Z)-Lanoconazole
CID 9927058
3-(5-(4-chlorobenzyl)-1-methyl-1H-imidazol-2-ylthio)-N,N-dimethylpropan-1-amine
CID 11544339

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole (CID 4550698) is 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole is Cn1ccnc1SCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole?
The InChIKey is HMJXOWFLRDSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-14-7-6-13-11(14)15-8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole?
2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole has a molecular weight of 238.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1-methylimidazole is sourced from PubChem (CID 4550698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).