2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole

C10H8Cl2N2S — CID 24955640

IUPAC2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole
SMILESClc1cccc(SCc2ncc[nH]2)c1Cl
InChIInChI=1S/C10H8Cl2N2S/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5H,6H2,(H,13,14)
InChIKeyZBGLJXHHNJVMKT-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.01
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole

2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole (PubChem CID 24955640) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole
PubChem CID24955640
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole
SMILESClc1cccc(SCc2ncc[nH]2)c1Cl
InChIInChI=1S/C10H8Cl2N2S/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5H,6H2,(H,13,14)
InChIKeyZBGLJXHHNJVMKT-UHFFFAOYSA-N
XLogP4.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole?
The IUPAC name of 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole (CID 24955640) is 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole?
The canonical SMILES for 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole is Clc1cccc(SCc2ncc[nH]2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole?
The InChIKey is ZBGLJXHHNJVMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5H,6H2,(H,13,14).
What are the key properties of 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole?
2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole has a molecular weight of 259.16 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole is sourced from PubChem (CID 24955640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).