2-benzylsulfanyl-5-chloro-1H-imidazole

C10H9ClN2S — CID 141002774

IUPAC2-benzylsulfanyl-5-chloro-1H-imidazole
SMILESClc1cnc(SCc2ccccc2)[nH]1
InChIInChI=1S/C10H9ClN2S/c11-9-6-12-10(13-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)
InChIKeyCUPHARBYHXCVJP-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.36
Rot. Bonds3

About 2-benzylsulfanyl-5-chloro-1H-imidazole

2-benzylsulfanyl-5-chloro-1H-imidazole (PubChem CID 141002774) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-chloro-1H-imidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-chloro-1H-imidazole
PubChem CID141002774
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name2-benzylsulfanyl-5-chloro-1H-imidazole
SMILESClc1cnc(SCc2ccccc2)[nH]1
InChIInChI=1S/C10H9ClN2S/c11-9-6-12-10(13-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)
InChIKeyCUPHARBYHXCVJP-UHFFFAOYSA-N
XLogP3.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-chloro-1H-imidazole?
The IUPAC name of 2-benzylsulfanyl-5-chloro-1H-imidazole (CID 141002774) is 2-benzylsulfanyl-5-chloro-1H-imidazole.
What is the SMILES notation for 2-benzylsulfanyl-5-chloro-1H-imidazole?
The canonical SMILES for 2-benzylsulfanyl-5-chloro-1H-imidazole is Clc1cnc(SCc2ccccc2)[nH]1.
What is the InChIKey of 2-benzylsulfanyl-5-chloro-1H-imidazole?
The InChIKey is CUPHARBYHXCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-9-6-12-10(13-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13).
What are the key properties of 2-benzylsulfanyl-5-chloro-1H-imidazole?
2-benzylsulfanyl-5-chloro-1H-imidazole has a molecular weight of 224.72 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-chloro-1H-imidazole is sourced from PubChem (CID 141002774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).