2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole

C18H18N2S — CID 1477535

IUPAC2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole
SMILESCCc1ccc(CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-2-15-8-10-16(11-9-15)14-21-18-19-12-13-20(18)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3
InChIKeyIUNURSMEOCMLOG-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.73
Rot. Bonds5

About 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole

2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole (PubChem CID 1477535) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole
PubChem CID1477535
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole
SMILESCCc1ccc(CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-2-15-8-10-16(11-9-15)14-21-18-19-12-13-20(18)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3
InChIKeyIUNURSMEOCMLOG-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole?
The IUPAC name of 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole (CID 1477535) is 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole.
What is the SMILES notation for 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole?
The canonical SMILES for 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole is CCc1ccc(CSc2nccn2-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole?
The InChIKey is IUNURSMEOCMLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-15-8-10-16(11-9-15)14-21-18-19-12-13-20(18)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole?
2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole has a molecular weight of 294.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylsulfanyl]-1-phenylimidazole is sourced from PubChem (CID 1477535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).