[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

C16H16N2OS2 — CID 4663465

IUPAC[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C16H16N2OS2/c1-12-4-2-5-13(10-12)11-21-16-17-7-8-18(16)15(19)14-6-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyYISPFFVELYNZTL-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.80
Rot. Bonds3

About [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 4663465) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
PubChem CID4663465
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C16H16N2OS2/c1-12-4-2-5-13(10-12)11-21-16-17-7-8-18(16)15(19)14-6-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyYISPFFVELYNZTL-UHFFFAOYSA-N
XLogP3.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (CID 4663465) is [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is Cc1cccc(CSC2=NCCN2C(=O)c2cccs2)c1.
What is the InChIKey of [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YISPFFVELYNZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-12-4-2-5-13(10-12)11-21-16-17-7-8-18(16)15(19)14-6-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 316.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 4663465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).