2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole

C10H8Cl2N2S — CID 15077496

IUPAC2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,1H3
InChIKeyYAMSHDCXPBQCJY-UHFFFAOYSA-N
MW259.16 g/mol
LogP3.88
Rot. Bonds2

About 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole

2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole (PubChem CID 15077496) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole
PubChem CID15077496
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,1H3
InChIKeyYAMSHDCXPBQCJY-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole (CID 15077496) is 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole is Cn1ccnc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole?
The InChIKey is YAMSHDCXPBQCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole?
2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole has a molecular weight of 259.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-1-methylimidazole is sourced from PubChem (CID 15077496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).