2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole

C10H8ClIN2S — CID 15077509

IUPAC2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc(I)cc1Cl
InChIInChI=1S/C10H8ClIN2S/c1-14-5-4-13-10(14)15-9-3-2-7(12)6-8(9)11/h2-6H,1H3
InChIKeyDXWGSCZXXALLMW-UHFFFAOYSA-N
MW350.61 g/mol
LogP3.83
Rot. Bonds2

About 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole

2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole (PubChem CID 15077509) has the molecular formula C10H8ClIN2S and a molecular weight of 350.61 g/mol. Its IUPAC name is 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole
PubChem CID15077509
Molecular FormulaC10H8ClIN2S
Molecular Weight350.61 g/mol
Exact Mass349.91
IUPAC Name2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc(I)cc1Cl
InChIInChI=1S/C10H8ClIN2S/c1-14-5-4-13-10(14)15-9-3-2-7(12)6-8(9)11/h2-6H,1H3
InChIKeyDXWGSCZXXALLMW-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole?
The IUPAC name of 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole (CID 15077509) is 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole?
The canonical SMILES for 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole is Cn1ccnc1Sc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole?
The InChIKey is DXWGSCZXXALLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN2S/c1-14-5-4-13-10(14)15-9-3-2-7(12)6-8(9)11/h2-6H,1H3.
What are the key properties of 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole?
2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole has a molecular weight of 350.61 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole is sourced from PubChem (CID 15077509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).