4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine

C10H10ClN3S — CID 11841184

IUPAC4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine
SMILESCSc1nc(-c2ccc(Cl)cc2)cn1N
InChIInChI=1S/C10H10ClN3S/c1-15-10-13-9(6-14(10)12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyAZFYTRCLFQHLRK-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine

4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine (PubChem CID 11841184) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine
PubChem CID11841184
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine
SMILESCSc1nc(-c2ccc(Cl)cc2)cn1N
InChIInChI=1S/C10H10ClN3S/c1-15-10-13-9(6-14(10)12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyAZFYTRCLFQHLRK-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine (CID 11841184) is 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine is CSc1nc(-c2ccc(Cl)cc2)cn1N.
What is the InChIKey of 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine?
The InChIKey is AZFYTRCLFQHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-15-10-13-9(6-14(10)12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine?
4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine has a molecular weight of 239.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methylsulfanylimidazol-1-amine is sourced from PubChem (CID 11841184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).