1-[2-(4-chlorophenyl)sulfanylethyl]imidazole

C11H11ClN2S — CID 762587

IUPAC1-[2-(4-chlorophenyl)sulfanylethyl]imidazole
SMILESClc1ccc(SCCn2ccnc2)cc1
InChIInChI=1S/C11H11ClN2S/c12-10-1-3-11(4-2-10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2
InChIKeyCZIDFICWHIVZLS-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.33
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole

1-[2-(4-chlorophenyl)sulfanylethyl]imidazole (PubChem CID 762587) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylethyl]imidazole
PubChem CID762587
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name1-[2-(4-chlorophenyl)sulfanylethyl]imidazole
SMILESClc1ccc(SCCn2ccnc2)cc1
InChIInChI=1S/C11H11ClN2S/c12-10-1-3-11(4-2-10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2
InChIKeyCZIDFICWHIVZLS-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole (CID 762587) is 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole is Clc1ccc(SCCn2ccnc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole?
The InChIKey is CZIDFICWHIVZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-10-1-3-11(4-2-10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole?
1-[2-(4-chlorophenyl)sulfanylethyl]imidazole has a molecular weight of 238.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylethyl]imidazole is sourced from PubChem (CID 762587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).