1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole

C16H16N2S — CID 12698975

IUPAC1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole
SMILESCSC(Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H16N2S/c1-19-16(11-18-9-8-17-12-18)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,16H,11H2,1H3
InChIKeyCCWSLNGROKXMLL-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.14
Rot. Bonds4

About 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole

1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole (PubChem CID 12698975) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole
PubChem CID12698975
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole
SMILESCSC(Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H16N2S/c1-19-16(11-18-9-8-17-12-18)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,16H,11H2,1H3
InChIKeyCCWSLNGROKXMLL-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole?
The IUPAC name of 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole (CID 12698975) is 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole.
What is the SMILES notation for 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole?
The canonical SMILES for 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole is CSC(Cn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole?
The InChIKey is CCWSLNGROKXMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-19-16(11-18-9-8-17-12-18)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,16H,11H2,1H3.
What are the key properties of 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole?
1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole has a molecular weight of 268.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole is sourced from PubChem (CID 12698975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).