1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole

C19H22N2S2 — CID 3054134

IUPAC1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole
SMILESCCSC(Cn1ccnc1)(SCC)c1ccc2ccccc2c1
InChIInChI=1S/C19H22N2S2/c1-3-22-19(23-4-2,14-21-12-11-20-15-21)18-10-9-16-7-5-6-8-17(16)13-18/h5-13,15H,3-4,14H2,1-2H3
InChIKeyJEVCGCNIWMRUGP-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.40
Rot. Bonds7

About 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole

1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole (PubChem CID 3054134) has the molecular formula C19H22N2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole.

Molecular Properties

Compound Name1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole
PubChem CID3054134
Molecular FormulaC19H22N2S2
Molecular Weight342.53 g/mol
Exact Mass342.12
IUPAC Name1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole
SMILESCCSC(Cn1ccnc1)(SCC)c1ccc2ccccc2c1
InChIInChI=1S/C19H22N2S2/c1-3-22-19(23-4-2,14-21-12-11-20-15-21)18-10-9-16-7-5-6-8-17(16)13-18/h5-13,15H,3-4,14H2,1-2H3
InChIKeyJEVCGCNIWMRUGP-UHFFFAOYSA-N
XLogP5.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole?
The IUPAC name of 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole (CID 3054134) is 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole.
What is the SMILES notation for 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole?
The canonical SMILES for 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole is CCSC(Cn1ccnc1)(SCC)c1ccc2ccccc2c1.
What is the InChIKey of 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole?
The InChIKey is JEVCGCNIWMRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S2/c1-3-22-19(23-4-2,14-21-12-11-20-15-21)18-10-9-16-7-5-6-8-17(16)13-18/h5-13,15H,3-4,14H2,1-2H3.
What are the key properties of 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole?
1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole has a molecular weight of 342.53 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole is sourced from PubChem (CID 3054134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).