1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone

C16H15ClN2OS2 — CID 3327765

IUPAC1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS2/c17-14-6-2-1-4-12(14)11-22-16-18-7-8-19(16)15(20)10-13-5-3-9-21-13/h1-6,9H,7-8,10-11H2
InChIKeyNPFFPPBWQMOXRD-UHFFFAOYSA-N
MW350.90 g/mol
LogP4.08
Rot. Bonds4

About 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone

1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (PubChem CID 3327765) has the molecular formula C16H15ClN2OS2 and a molecular weight of 350.90 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
PubChem CID3327765
Molecular FormulaC16H15ClN2OS2
Molecular Weight350.90 g/mol
Exact Mass350.03
IUPAC Name1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS2/c17-14-6-2-1-4-12(14)11-22-16-18-7-8-19(16)15(20)10-13-5-3-9-21-13/h1-6,9H,7-8,10-11H2
InChIKeyNPFFPPBWQMOXRD-UHFFFAOYSA-N
XLogP4.08
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.90
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (CID 3327765) is 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN=C1SCc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is NPFFPPBWQMOXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS2/c17-14-6-2-1-4-12(14)11-22-16-18-7-8-19(16)15(20)10-13-5-3-9-21-13/h1-6,9H,7-8,10-11H2.
What are the key properties of 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 350.90 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 3327765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).