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

C16H17ClN2S — CID 12698976

IUPAC1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride
SMILESCSC(Cn1ccnc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H16N2S.ClH/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;1H
InChIKeyMEANZFHCOLTOQI-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.56
Rot. Bonds4

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

1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride (PubChem CID 12698976) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride
PubChem CID12698976
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride
SMILESCSC(Cn1ccnc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H16N2S.ClH/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;1H
InChIKeyMEANZFHCOLTOQI-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.56
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;hydrochloride?
The IUPAC name of 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride (CID 12698976) is 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The canonical SMILES for 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride is CSC(Cn1ccnc1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The InChIKey is MEANZFHCOLTOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S.ClH/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;1H.
What are the key properties of 1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride?
1-(2-methylsulfanyl-2-naphthalen-2-ylethyl)imidazole;hydrochloride has a molecular weight of 304.85 g/mol, XLogP of 4.56, 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;hydrochloride is sourced from PubChem (CID 12698976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).