4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline

C11H11Cl2N3S — CID 79527791

IUPAC4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline
SMILESCn1c(Cl)cnc1CSc1cc(Cl)ccc1N
InChIInChI=1S/C11H11Cl2N3S/c1-16-10(13)5-15-11(16)6-17-9-4-7(12)2-3-8(9)14/h2-5H,6,14H2,1H3
InChIKeyAOSZEDDYFHMFHZ-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline

4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline (PubChem CID 79527791) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline
PubChem CID79527791
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline
SMILESCn1c(Cl)cnc1CSc1cc(Cl)ccc1N
InChIInChI=1S/C11H11Cl2N3S/c1-16-10(13)5-15-11(16)6-17-9-4-7(12)2-3-8(9)14/h2-5H,6,14H2,1H3
InChIKeyAOSZEDDYFHMFHZ-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline 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

4-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79528483
5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole
CID 86908683
4-chloro-2-[(4,6-dichloro-3-pyridinyl)methylsulfanyl]aniline
CID 116519589
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
4-chloro-2-(2-methylidenebutylsulfanyl)aniline
CID 79528139
4-chloro-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79529000
4-chloro-2-(2-methylprop-2-enylsulfanyl)aniline
CID 79528297
4-chloro-2-[(4-ethoxyphenyl)methylsulfanyl]aniline
CID 79528049
3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79527723
4-chloro-2-[(2-ethoxyphenyl)methylsulfanyl]aniline
CID 79527895
4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79527797
[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline?
The IUPAC name of 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline (CID 79527791) is 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline is Cn1c(Cl)cnc1CSc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline?
The InChIKey is AOSZEDDYFHMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-16-10(13)5-15-11(16)6-17-9-4-7(12)2-3-8(9)14/h2-5H,6,14H2,1H3.
What are the key properties of 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline?
4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline has a molecular weight of 288.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79527791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).