1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone

C16H16N2O2S — CID 3456010

IUPAC1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCSC1=NCCN1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O2S/c1-21-16-17-8-9-18(16)15(19)11-20-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyXMLCIQQAPYVSOT-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone

1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone (PubChem CID 3456010) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone
PubChem CID3456010
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCSC1=NCCN1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O2S/c1-21-16-17-8-9-18(16)15(19)11-20-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyXMLCIQQAPYVSOT-UHFFFAOYSA-N
XLogP2.78
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone (CID 3456010) is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone is CSC1=NCCN1C(=O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone?
The InChIKey is XMLCIQQAPYVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-21-16-17-8-9-18(16)15(19)11-20-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone?
1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone has a molecular weight of 300.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 3456010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).