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

C11H8Cl2N2S — CID 146482718

IUPAC2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole
SMILESC=C(Sc1cccc(Cl)c1Cl)c1ncc[nH]1
InChIInChI=1S/C11H8Cl2N2S/c1-7(11-14-5-6-15-11)16-9-4-2-3-8(12)10(9)13/h2-6H,1H2,(H,14,15)
InChIKeyNKRYWAJDYAXSKH-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.48
Rot. Bonds3

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

2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole (PubChem CID 146482718) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole
PubChem CID146482718
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole
SMILESC=C(Sc1cccc(Cl)c1Cl)c1ncc[nH]1
InChIInChI=1S/C11H8Cl2N2S/c1-7(11-14-5-6-15-11)16-9-4-2-3-8(12)10(9)13/h2-6H,1H2,(H,14,15)
InChIKeyNKRYWAJDYAXSKH-UHFFFAOYSA-N
XLogP4.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole?
The IUPAC name of 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole (CID 146482718) is 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole?
The canonical SMILES for 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole is C=C(Sc1cccc(Cl)c1Cl)c1ncc[nH]1.
What is the InChIKey of 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole?
The InChIKey is NKRYWAJDYAXSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c1-7(11-14-5-6-15-11)16-9-4-2-3-8(12)10(9)13/h2-6H,1H2,(H,14,15).
What are the key properties of 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole?
2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole has a molecular weight of 271.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole is sourced from PubChem (CID 146482718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).